4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile

C9H12N2O — CID 10607116

IUPAC4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCC1=C(C#N)C(C)(C)CC(=O)N1
InChIInChI=1S/C9H12N2O/c1-6-7(5-10)9(2,3)4-8(12)11-6/h4H2,1-3H3,(H,11,12)
InChIKeyXNYOLBJHUDNIMO-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.33
Rot. Bonds

About 4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile

4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile (PubChem CID 10607116) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile
PubChem CID10607116
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCC1=C(C#N)C(C)(C)CC(=O)N1
InChIInChI=1S/C9H12N2O/c1-6-7(5-10)9(2,3)4-8(12)11-6/h4H2,1-3H3,(H,11,12)
InChIKeyXNYOLBJHUDNIMO-UHFFFAOYSA-N
XLogP1.33
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 647150
6-methyl-2-oxo-4-propyl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 130019803
2,4,4-trimethyl-6-oxocyclohexene-1-carbonitrile
CID 22623478
(5R)-5-hydroxy-2,3,5-trimethylcyclohex-2-ene-1,4-dione
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(4S)-2,4,7,7-tetramethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 721570
N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide
CID 7102119
1-amino-3,3-dimethyl-4H-naphthalene-2-carbonitrile
CID 2842471
4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione
CID 22944527
3,3-dimethylcyclobutene-1-carbonitrile
CID 91962457
4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide
CID 18952439
2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
CID 66570659

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile (CID 10607116) is 4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile is CC1=C(C#N)C(C)(C)CC(=O)N1.
What is the InChIKey of 4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile?
The InChIKey is XNYOLBJHUDNIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-7(5-10)9(2,3)4-8(12)11-6/h4H2,1-3H3,(H,11,12).
What are the key properties of 4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile?
4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile has a molecular weight of 164.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 10607116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).