6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile

C12H14N2O — CID 107072857

IUPAC6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)=CCn1c(C)ccc(C#N)c1=O
InChIInChI=1S/C12H14N2O/c1-9(2)6-7-14-10(3)4-5-11(8-13)12(14)15/h4-6H,7H2,1-3H3
InChIKeyLIFYPLMJNSIORR-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.99
Rot. Bonds2

About 6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile

6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile (PubChem CID 107072857) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile
PubChem CID107072857
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)=CCn1c(C)ccc(C#N)c1=O
InChIInChI=1S/C12H14N2O/c1-9(2)6-7-14-10(3)4-5-11(8-13)12(14)15/h4-6H,7H2,1-3H3
InChIKeyLIFYPLMJNSIORR-UHFFFAOYSA-N
XLogP1.99
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-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

Related Compounds

1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 106439931
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methylacetamide
CID 82099506
6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile
CID 130561478
1-(2-amino-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 82146932
5-(3-cyano-6-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 82147473
1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099441
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
CID 82099388
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide
CID 107072952
1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099513
6-methyl-1-(3-methylsulfanylpropyl)-2-oxopyridine-3-carbonitrile
CID 107072997
1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072777
6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile
CID 107072821

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile (CID 107072857) is 6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile is CC(C)=CCn1c(C)ccc(C#N)c1=O.
What is the InChIKey of 6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is LIFYPLMJNSIORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(2)6-7-14-10(3)4-5-11(8-13)12(14)15/h4-6H,7H2,1-3H3.
What are the key properties of 6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile?
6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 107072857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).