2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile

C12H16N2O — CID 3545360

IUPAC2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCC(C)=CC1=C(C#N)C(=O)NC(C)(C)C1
InChIInChI=1S/C12H16N2O/c1-8(2)5-9-6-12(3,4)14-11(15)10(9)7-13/h5H,6H2,1-4H3,(H,14,15)
InChIKeySHMQVUOCILFFIZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.07
Rot. Bonds1

About 2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile

2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile (PubChem CID 3545360) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
PubChem CID3545360
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCC(C)=CC1=C(C#N)C(=O)NC(C)(C)C1
InChIInChI=1S/C12H16N2O/c1-8(2)5-9-6-12(3,4)14-11(15)10(9)7-13/h5H,6H2,1-4H3,(H,14,15)
InChIKeySHMQVUOCILFFIZ-UHFFFAOYSA-N
XLogP2.07
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile (CID 3545360) is 2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile is CC(C)=CC1=C(C#N)C(=O)NC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The InChIKey is SHMQVUOCILFFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)5-9-6-12(3,4)14-11(15)10(9)7-13/h5H,6H2,1-4H3,(H,14,15).
What are the key properties of 2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile?
2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile has a molecular weight of 204.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylprop-1-enyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 3545360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).