1-methyl-2-oxo-3H-indole-7-carbonitrile

C10H8N2O — CID 82653401

IUPAC1-methyl-2-oxo-3H-indole-7-carbonitrile
SMILESCN1C(=O)Cc2cccc(C#N)c21
InChIInChI=1S/C10H8N2O/c1-12-9(13)5-7-3-2-4-8(6-11)10(7)12/h2-4H,5H2,1H3
InChIKeyJONFMYWRPZDIBS-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.08
Rot. Bonds

About 1-methyl-2-oxo-3H-indole-7-carbonitrile

1-methyl-2-oxo-3H-indole-7-carbonitrile (PubChem CID 82653401) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-methyl-2-oxo-3H-indole-7-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-oxo-3H-indole-7-carbonitrile
PubChem CID82653401
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name1-methyl-2-oxo-3H-indole-7-carbonitrile
SMILESCN1C(=O)Cc2cccc(C#N)c21
InChIInChI=1S/C10H8N2O/c1-12-9(13)5-7-3-2-4-8(6-11)10(7)12/h2-4H,5H2,1H3
InChIKeyJONFMYWRPZDIBS-UHFFFAOYSA-N
XLogP1.08
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2-oxo-3H-indole-7-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 1-methyl-2-oxo-3H-indole-7-carbonitrile?
The IUPAC name of 1-methyl-2-oxo-3H-indole-7-carbonitrile (CID 82653401) is 1-methyl-2-oxo-3H-indole-7-carbonitrile.
What is the SMILES notation for 1-methyl-2-oxo-3H-indole-7-carbonitrile?
The canonical SMILES for 1-methyl-2-oxo-3H-indole-7-carbonitrile is CN1C(=O)Cc2cccc(C#N)c21.
What is the InChIKey of 1-methyl-2-oxo-3H-indole-7-carbonitrile?
The InChIKey is JONFMYWRPZDIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-12-9(13)5-7-3-2-4-8(6-11)10(7)12/h2-4H,5H2,1H3.
What are the key properties of 1-methyl-2-oxo-3H-indole-7-carbonitrile?
1-methyl-2-oxo-3H-indole-7-carbonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-3H-indole-7-carbonitrile is sourced from PubChem (CID 82653401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).