Indole-3-propionamide

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CAS Number

5814-93-7

MDL Number

MFCD00152109

Smiles

NC(=O)CCc1c[nH]c2ccccc12

Chemical Information

3-(1H-indol-3-yl)propanamide

CAS Number	5814-93-7
PubChem CID	351791
IUPAC Name	3-(1H-indol-3-yl)propanamide
Molecular Formula	C11H12N2O
Molecular Weight	188.23
XLogP	1.1
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	217

SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)N

InChI

InChI=1S/C11H12N2O/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H2,12,14)

InChIKey

OTVHXWFANORBAK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5814-93-7

CID: 351791

Formula: C11H12N2O

MW: 188.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.23
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	188.094963011
Monoisotopic Mass	188.094963011
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	217
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
PC107204	3- (Pentafluorophenyl) propionamide
OR911750-01	3-Phenyl-propionamide
OR75539-01	Propionamide
OR1055073-01	N- (3-Nitrophenyl) propionamide
OR1078820-01	N- (3,4-Dichlorophenyl) propionamide
OR907290-01	N-Benzyl-3-chloro-propionamide
OR1036771	Indole-3-amidoxime
BUP02041-01	Indole-3-glyoxylamide
BUP16492-01	Indole-3-carboxaldehyde
OR903662	3- (Propylamino) indole

Catalog	Name
sc-281535	Indole-3-propionamide
238978-01	Indole 3-propionamide (IPAM)
MBS6066383-01	IPAM (Indole 3-propionamide)
452353-01	IPAM (Indole 3-propionamide) discontinued. See 238978
FP03362-01	Propionamide
sc-485689	3,3',3''-Nitrilotris (propionamide)
XAA36776	3- (2-Hydroxyphenyl) propionamide
FH71083-01	3- (4-Hydroxyphenyl) propionamide
FM70782-01	3- (4-Methoxyphenyl) propionamide
DCA20166-01	N- (3- (Dimethylamino) propyl) propionamide