2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile

C15H12N2O — CID 3788407

IUPAC2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile
SMILESC=CCn1cc(-c2ccccc2)cc(C#N)c1=O
InChIInChI=1S/C15H12N2O/c1-2-8-17-11-14(9-13(10-16)15(17)18)12-6-4-3-5-7-12/h2-7,9,11H,1,8H2
InChIKeyBSXRGPIZZGMTMF-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.57
Rot. Bonds3

About 2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile

2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile (PubChem CID 3788407) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile
PubChem CID3788407
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile
SMILESC=CCn1cc(-c2ccccc2)cc(C#N)c1=O
InChIInChI=1S/C15H12N2O/c1-2-8-17-11-14(9-13(10-16)15(17)18)12-6-4-3-5-7-12/h2-7,9,11H,1,8H2
InChIKeyBSXRGPIZZGMTMF-UHFFFAOYSA-N
XLogP2.57
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile?
The IUPAC name of 2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile (CID 3788407) is 2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile is C=CCn1cc(-c2ccccc2)cc(C#N)c1=O.
What is the InChIKey of 2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile?
The InChIKey is BSXRGPIZZGMTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-2-8-17-11-14(9-13(10-16)15(17)18)12-6-4-3-5-7-12/h2-7,9,11H,1,8H2.
What are the key properties of 2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile?
2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile has a molecular weight of 236.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-phenyl-1-prop-2-enylpyridine-3-carbonitrile is sourced from PubChem (CID 3788407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).