3,3-Dimethylpent-4-enamide

CAT: 0926-VCA18493-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-VCA18493-01Size:250 mg

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CAS Number

70184-93-9

MDL Number

MFCD19204535

Smiles

CC (C) (CC (=O) N) C=C

Molecular Formula

C7H13NO

Molecular Weight

127.18 g/mol

Controlled

Chemical Information

3,3-Dimethylpent-4-enamide

CAS Number	70184-93-9
PubChem CID	53999915
IUPAC Name	3,3-dimethylpent-4-enamide
Molecular Formula	C7H13NO
Molecular Weight	127.18
XLogP	1.1
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	127

SMILES

CC(C)(CC(=O)N)C=C

InChI

InChI=1S/C7H13NO/c1-4-7(2,3)5-6(8)9/h4H,1,5H2,2-3H3,(H2,8,9)

InChIKey

KKULOSSOHDGBTL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 70184-93-9

CID: 53999915

Formula: C7H13NO

MW: 127.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.18
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	127.099714038
Monoisotopic Mass	127.099714038
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	127
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HAA79673-01	3,3-Dimethylpent-4-enoic acid
JCA79305-01	2,3-Dimethylpent-4-enoic acid
RIA57458-01	3-Chloro-4,4-dimethylpent-2-enenitrile
HBA55737-01	3,4-Dimethylpent-2-enoic acid
WAA01645-01	Ethyl 3,4-dimethylpent-2-enoate
DXC60427-01	4,4-Dimethylpent-1-yn-3-amine hydrochloride
TPD50961-01	2-Amino-3,4-dimethylpent-3-enoic acid hydrochloride
ARB16294	N- (4-chlorophenyl) -3- (4-phenylpiperazinyl) but-2-enamide
SJB15968	N- (4-chlorophenyl) -3- (4-benzylpiperazinyl) but-2-enamide
FBA98078-01	3- (4-Aminophenyl) -2-cyanoprop-2-enamide

Catalog	Name
OR1065737-01	But-3-enamide
RG-A261707-01	(Z) -3,4-Dimethylpent-2-Ene
OR0146-01	3-Chloro-4,4-dimethylpent-2-enenitrile
AR-P01419-01	2-Amino-3,3-Dimethylpent-4-ynoic Acid
sc-505040	(2S,4E) -5-Chloro-2-isopropyl-N, N-dimethylpent-4-enamide
422822-01	3- (4-Chloro-3-methoxyphenethyl) -4,4-dimethylpent-1-en-3-ol
TRC-C381160-10MG	3-(4-Chloro-3-methoxyphenethyl)-4,4-dimethylpent-1-en-3-ol
OR908070	(2E) -3,4,4-Trimethylpent-2-enamide
AM UG B263-01	(E) -1- (3,4-dimethoxyphenyl) -4,4-dimethylpent-1-en-3-one
459475-01	N-Methylbut-3-enamide