3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile

C14H12N2O — CID 107916707

IUPAC3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(C(=O)CC3CC3)c[nH]c2c1
InChIInChI=1S/C14H12N2O/c15-7-10-3-4-11-12(8-16-13(11)5-10)14(17)6-9-1-2-9/h3-5,8-9,16H,1-2,6H2
InChIKeyDUQAZNUOSYGUBM-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.02
Rot. Bonds3

About 3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile

3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile (PubChem CID 107916707) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile
PubChem CID107916707
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(C(=O)CC3CC3)c[nH]c2c1
InChIInChI=1S/C14H12N2O/c15-7-10-3-4-11-12(8-16-13(11)5-10)14(17)6-9-1-2-9/h3-5,8-9,16H,1-2,6H2
InChIKeyDUQAZNUOSYGUBM-UHFFFAOYSA-N
XLogP3.02
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile?
The IUPAC name of 3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile (CID 107916707) is 3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile?
The canonical SMILES for 3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile is N#Cc1ccc2c(C(=O)CC3CC3)c[nH]c2c1.
What is the InChIKey of 3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile?
The InChIKey is DUQAZNUOSYGUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-7-10-3-4-11-12(8-16-13(11)5-10)14(17)6-9-1-2-9/h3-5,8-9,16H,1-2,6H2.
What are the key properties of 3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile?
3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile has a molecular weight of 224.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile is sourced from PubChem (CID 107916707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).