Indole-3-Acetamide

CAS: 879-37-8 | C10H10N2O

2D Structure

Loading 3D structure...

CAS Registry Number

879-37-8

SMILES

N=C(O)Cc1c[nH]c2ccccc12

InChI Key

ZOAMBXDOGPRZLP-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	174.20 g/mol	CAS Common Chemistry
	174.203 g/mol	RDKit
	175.211 g/mol	chempirical lib
Canonical SMILES	O=C(N)CC1=CNC=2C=CC=CC21	CAS Common Chemistry
InChI	InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)	CAS Common Chemistry
InChI Key	InChIKey=ZOAMBXDOGPRZLP-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	150-151 °C	CAS Common Chemistry
Name	Indole-3-acetamide	CAS Common Chemistry
Heavy Atom Count	13	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	3	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	59.87 Å²	RDKit
LogP	2.2456699999999996	RDKit
	2.2457	RDKit
Molar Refractivity	52.35820000000002 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.1	RDKit
Exact Mass	174.07931294 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Other compounds with formula C10H10N2O.