3- (2-Propenyl) indole

CAT: 0127-OR930440-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR930440-01Size:250 mg

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CAS Number

16886-09-2

MDL Number

MFCD08361736

Purity

95%

Smiles

C=CCc1c[nH]c2ccccc12

Chemical Information

3-Allyl-1H-indole

CAS Number	16886-09-2
PubChem CID	12281271
IUPAC Name	3-prop-2-enyl-1H-indole
Molecular Formula	C11H11N
Molecular Weight	157.21
XLogP	3.3
Topological Polar Surface Area	15.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	164

SMILES

C=CCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C11H11N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h2-4,6-8,12H,1,5H2

InChIKey

UWJLKFQVYFDQEQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16886-09-2

CID: 12281271

Formula: C11H11N

MW: 157.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.21
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	157.089149355
Monoisotopic Mass	157.089149355
Topological Polar Surface Area	15.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	164
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
OR1073593-01	1-Propyl-1H-indole-2,3-dione
OR1012572-01	Butanoic acid 3-phenyl-2-propenyl ester
OR0519-01	3- (2-Hydroxyethyl) -1H-indole
OR01655	2- (3-Hydroxyphenyl) -1H-indole
OR74918-01	2,3-Diphenyl-1H-indole
OR24580-01	3- (2-Bromoethyl) -1H-indole
OR10173-01	2,3-Dimethyl-1H-indole
OR53066-01	1H-Indole-2,3-dione
OR1025201-01	Indole-2,3-Dione Oxime
OR93856-01	2- (3-Bromophenyl) -1H-indole