4-methyl-2-oxo-1-propylpyridine-3-carbonitrile

C10H12N2O — CID 82111413

IUPAC4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1ccc(C)c(C#N)c1=O
InChIInChI=1S/C10H12N2O/c1-3-5-12-6-4-8(2)9(7-11)10(12)13/h4,6H,3,5H2,1-2H3
InChIKeyGJDJBDCLLIPWIR-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.44
Rot. Bonds2

About 4-methyl-2-oxo-1-propylpyridine-3-carbonitrile

4-methyl-2-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 82111413) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
PubChem CID82111413
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1ccc(C)c(C#N)c1=O
InChIInChI=1S/C10H12N2O/c1-3-5-12-6-4-8(2)9(7-11)10(12)13/h4,6H,3,5H2,1-2H3
InChIKeyGJDJBDCLLIPWIR-UHFFFAOYSA-N
XLogP1.44
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-oxo-1-propylpyridine-3-carbonitrile (CID 82111413) is 4-methyl-2-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-oxo-1-propylpyridine-3-carbonitrile is CCCn1ccc(C)c(C#N)c1=O.
What is the InChIKey of 4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is GJDJBDCLLIPWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-5-12-6-4-8(2)9(7-11)10(12)13/h4,6H,3,5H2,1-2H3.
What are the key properties of 4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
4-methyl-2-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 82111413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).