1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile

C11H14N2O — CID 82111833

IUPAC1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)CCn1cccc(C#N)c1=O
InChIInChI=1S/C11H14N2O/c1-9(2)5-7-13-6-3-4-10(8-12)11(13)14/h3-4,6,9H,5,7H2,1-2H3
InChIKeyRZZUUQQZEJWRLM-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.77
Rot. Bonds3

About 1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile

1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82111833) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
PubChem CID82111833
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)CCn1cccc(C#N)c1=O
InChIInChI=1S/C11H14N2O/c1-9(2)5-7-13-6-3-4-10(8-12)11(13)14/h3-4,6,9H,5,7H2,1-2H3
InChIKeyRZZUUQQZEJWRLM-UHFFFAOYSA-N
XLogP1.77
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile (CID 82111833) is 1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile is CC(C)CCn1cccc(C#N)c1=O.
What is the InChIKey of 1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is RZZUUQQZEJWRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(2)5-7-13-6-3-4-10(8-12)11(13)14/h3-4,6,9H,5,7H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82111833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).