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

C10H12N2O — CID 60673757

IUPAC5-(2-oxo-1-pyridinyl)pentanenitrile
SMILESN#CCCCCn1ccccc1=O
InChIInChI=1S/C10H12N2O/c11-7-3-1-4-8-12-9-5-2-6-10(12)13/h2,5-6,9H,1,3-4,8H2
InChIKeyVBHJOXCJOPGXKS-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.54
Rot. Bonds4

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

5-(2-oxo-1-pyridinyl)pentanenitrile (PubChem CID 60673757) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-(2-oxo-1-pyridinyl)pentanenitrile.

Molecular Properties

Compound Name5-(2-oxo-1-pyridinyl)pentanenitrile
PubChem CID60673757
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-(2-oxo-1-pyridinyl)pentanenitrile
SMILESN#CCCCCn1ccccc1=O
InChIInChI=1S/C10H12N2O/c11-7-3-1-4-8-12-9-5-2-6-10(12)13/h2,5-6,9H,1,3-4,8H2
InChIKeyVBHJOXCJOPGXKS-UHFFFAOYSA-N
XLogP1.54
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.54
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-(2-oxo-1-pyridinyl)pentanenitrile?
The IUPAC name of 5-(2-oxo-1-pyridinyl)pentanenitrile (CID 60673757) is 5-(2-oxo-1-pyridinyl)pentanenitrile.
What is the SMILES notation for 5-(2-oxo-1-pyridinyl)pentanenitrile?
The canonical SMILES for 5-(2-oxo-1-pyridinyl)pentanenitrile is N#CCCCCn1ccccc1=O.
What is the InChIKey of 5-(2-oxo-1-pyridinyl)pentanenitrile?
The InChIKey is VBHJOXCJOPGXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-7-3-1-4-8-12-9-5-2-6-10(12)13/h2,5-6,9H,1,3-4,8H2.
What are the key properties of 5-(2-oxo-1-pyridinyl)pentanenitrile?
5-(2-oxo-1-pyridinyl)pentanenitrile has a molecular weight of 176.22 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-1-pyridinyl)pentanenitrile is sourced from PubChem (CID 60673757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).