5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile

C11H14N2O — CID 63172292

IUPAC5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile
SMILESCc1cccn(CCCCC#N)c1=O
InChIInChI=1S/C11H14N2O/c1-10-6-5-9-13(11(10)14)8-4-2-3-7-12/h5-6,9H,2-4,8H2,1H3
InChIKeyLWKIYUQDAORADA-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.85
Rot. Bonds4

About 5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile

5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile (PubChem CID 63172292) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile.

Molecular Properties

Compound Name5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile
PubChem CID63172292
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile
SMILESCc1cccn(CCCCC#N)c1=O
InChIInChI=1S/C11H14N2O/c1-10-6-5-9-13(11(10)14)8-4-2-3-7-12/h5-6,9H,2-4,8H2,1H3
InChIKeyLWKIYUQDAORADA-UHFFFAOYSA-N
XLogP1.85
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile?
The IUPAC name of 5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile (CID 63172292) is 5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile.
What is the SMILES notation for 5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile?
The canonical SMILES for 5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile is Cc1cccn(CCCCC#N)c1=O.
What is the InChIKey of 5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile?
The InChIKey is LWKIYUQDAORADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-10-6-5-9-13(11(10)14)8-4-2-3-7-12/h5-6,9H,2-4,8H2,1H3.
What are the key properties of 5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile?
5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile is sourced from PubChem (CID 63172292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).