2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile

C10H10N2O2 — CID 82064763

IUPAC2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile
SMILESCC(=O)c1ccc(C)n(CC#N)c1=O
InChIInChI=1S/C10H10N2O2/c1-7-3-4-9(8(2)13)10(14)12(7)6-5-11/h3-4H,6H2,1-2H3
InChIKeyKKEQPEUVXBTSTB-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.88
Rot. Bonds2

About 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile

2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile (PubChem CID 82064763) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile
PubChem CID82064763
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile
SMILESCC(=O)c1ccc(C)n(CC#N)c1=O
InChIInChI=1S/C10H10N2O2/c1-7-3-4-9(8(2)13)10(14)12(7)6-5-11/h3-4H,6H2,1-2H3
InChIKeyKKEQPEUVXBTSTB-UHFFFAOYSA-N
XLogP0.88
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile (CID 82064763) is 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile is CC(=O)c1ccc(C)n(CC#N)c1=O.
What is the InChIKey of 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile?
The InChIKey is KKEQPEUVXBTSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-3-4-9(8(2)13)10(14)12(7)6-5-11/h3-4H,6H2,1-2H3.
What are the key properties of 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile?
2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile has a molecular weight of 190.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)acetonitrile is sourced from PubChem (CID 82064763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).