2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile

C9H10N2O — CID 15421492

IUPAC2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
SMILESCC(C)C1=NC(=O)C(C#N)C=C1
InChIInChI=1S/C9H10N2O/c1-6(2)8-4-3-7(5-10)9(12)11-8/h3-4,6-7H,1-2H3
InChIKeyWPDHVNYCCXVKAE-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.32
Rot. Bonds1

About 2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile

2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile (PubChem CID 15421492) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
PubChem CID15421492
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
SMILESCC(C)C1=NC(=O)C(C#N)C=C1
InChIInChI=1S/C9H10N2O/c1-6(2)8-4-3-7(5-10)9(12)11-8/h3-4,6-7H,1-2H3
InChIKeyWPDHVNYCCXVKAE-UHFFFAOYSA-N
XLogP1.32
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-Dimethyl-2-oxo-2,3-dihydropyridine-3-carbonitrile
CID 15421486
6-methyl-2-oxo-3H-pyridine-3-carbonitrile
CID 57236360
6-tert-butyl-3H-pyridin-2-one
CID 59212604
3-ethyl-6-methyl-3H-pyridin-2-one
CID 76844676
6-Isopropylpyridin-2(3H)-one
CID 118968929
(Z)-N,4-dimethyl-5-oxohex-2-enimidoyl cyanide
CID 144168281
(3R)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
CID 7156905
(3S)-4,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
CID 7156906
6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile
CID 13240379
4-methyl-2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
CID 15421487
2-oxo-3H-quinoline-3-carbonitrile
CID 71302972
5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
CID 71303629

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile (CID 15421492) is 2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile is CC(C)C1=NC(=O)C(C#N)C=C1.
What is the InChIKey of 2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile?
The InChIKey is WPDHVNYCCXVKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6(2)8-4-3-7(5-10)9(12)11-8/h3-4,6-7H,1-2H3.
What are the key properties of 2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile?
2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 15421492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).