6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile

C10H12N2O2 — CID 70464403

IUPAC6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile
SMILESCCC(=O)C1=C(C)NC(=O)C(C#N)C1
InChIInChI=1S/C10H12N2O2/c1-3-9(13)8-4-7(5-11)10(14)12-6(8)2/h7H,3-4H2,1-2H3,(H,12,14)
InChIKeyCSRULEAPJPJFMG-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.90
Rot. Bonds2

About 6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile

6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile (PubChem CID 70464403) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile
PubChem CID70464403
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile
SMILESCCC(=O)C1=C(C)NC(=O)C(C#N)C1
InChIInChI=1S/C10H12N2O2/c1-3-9(13)8-4-7(5-11)10(14)12-6(8)2/h7H,3-4H2,1-2H3,(H,12,14)
InChIKeyCSRULEAPJPJFMG-UHFFFAOYSA-N
XLogP0.90
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-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 6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile (CID 70464403) is 6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile is CCC(=O)C1=C(C)NC(=O)C(C#N)C1.
What is the InChIKey of 6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile?
The InChIKey is CSRULEAPJPJFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-9(13)8-4-7(5-11)10(14)12-6(8)2/h7H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-5-propanoyl-3,4-dihydro-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70464403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).