2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile

C8H8N2O — CID 62962859

IUPAC2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile
SMILESCc1ccn(CC#N)c(=O)c1
InChIInChI=1S/C8H8N2O/c1-7-2-4-10(5-3-9)8(11)6-7/h2,4,6H,5H2,1H3
InChIKeyTVSBRLJSUPCDSW-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.68
Rot. Bonds1

About 2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile

2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile (PubChem CID 62962859) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile
PubChem CID62962859
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile
SMILESCc1ccn(CC#N)c(=O)c1
InChIInChI=1S/C8H8N2O/c1-7-2-4-10(5-3-9)8(11)6-7/h2,4,6H,5H2,1H3
InChIKeyTVSBRLJSUPCDSW-UHFFFAOYSA-N
XLogP0.68
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile 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 2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile?
The IUPAC name of 2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile (CID 62962859) is 2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile?
The canonical SMILES for 2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile is Cc1ccn(CC#N)c(=O)c1.
What is the InChIKey of 2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile?
The InChIKey is TVSBRLJSUPCDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-7-2-4-10(5-3-9)8(11)6-7/h2,4,6H,5H2,1H3.
What are the key properties of 2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile?
2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile has a molecular weight of 148.16 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1-pyridinyl)acetonitrile is sourced from PubChem (CID 62962859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).