2-Isopropylpent-4-enamide

CAT: 0127-OR1006228-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1006228-01Size:100 mg

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CAS Number

299-78-5

Purity

95%

Smiles

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

Chemical Information

2-(1-Methylethyl)-4-pentenamide

An allylic compound that acts as a suicide inactivator of CYTOCHROME P450 by covalently binding to its heme moiety or surrounding protein.

CAS Number	299-78-5
PubChem CID	9297
IUPAC Name	2-propan-2-ylpent-4-enamide
Molecular Formula	C8H15NO
Molecular Weight	141.21
XLogP	1.5
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	129

SMILES

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

InChI

InChI=1S/C8H15NO/c1-4-5-7(6(2)3)8(9)10/h4,6-7H,1,5H2,2-3H3,(H2,9,10)

InChIKey

HINLFAQOKAHXOD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 299-78-5

CID: 9297

Formula: C8H15NO

MW: 141.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.21
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	141.115364102
Monoisotopic Mass	141.115364102
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1036259-01	2-Isopropylpent-4-enoic acid
OR1012567-01	But-2-Enamide
OR908070	(2E) -3,4,4-Trimethylpent-2-enamide
BUP08510-01	N- (4-methoxyphenyl) prop-2-enamide
OR32081-01	N- (4-Cyanophenyl) -2-methylprop-2-enamide
OR922689-01	(S, E) -5-Chloro-2-isopropylpent-4-enoic acid
OR1003775-01	2-Phenylprop-2-enamide
OR1046549-01	4-Benzyl-3- (5-chloro-2-isopropylpent-4-enoyl) oxazolidin-2-one
OR51889	(E) -4-Bromo-N, N-dimethylbut-2-enamide
OR51888	(E) -4-Chloro-N, N-dimethylbut-2-enamide

Catalog	Name
1575-71-9	2-isopropylpent-4-enoic acid
T50041-01	N- (4-methoxyphenyl) prop-2-enamide
sc-354698A	N- (4-bromophenyl) prop-2-enamide
sc-354753A	N- (4-fluorophenyl) prop-2-enamide
MBS3616956-01	N-(4-methoxyphenyl)prop-2-enamide
FBA98078-01	3- (4-Aminophenyl) -2-cyanoprop-2-enamide
JFA04678-01	N- (4-Phenoxyphenyl) prop-2-enamide
HAA76638-01	N- (4-Nitrophenyl) prop-2-enamide
ARB16294	N- (4-chlorophenyl) -3- (4-phenylpiperazinyl) but-2-enamide
SJB15968	N- (4-chlorophenyl) -3- (4-benzylpiperazinyl) but-2-enamide