1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one

C14H11NO2 — CID 3007383

IUPAC1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one
SMILESC=C(C(=O)c1ccccc1)n1ccccc1=O
InChIInChI=1S/C14H11NO2/c1-11(15-10-6-5-9-13(15)16)14(17)12-7-3-2-4-8-12/h2-10H,1H2
InChIKeyLDNZAPNVHAYNIT-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.20
Rot. Bonds3

About 1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one

1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one (PubChem CID 3007383) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one
PubChem CID3007383
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one
SMILESC=C(C(=O)c1ccccc1)n1ccccc1=O
InChIInChI=1S/C14H11NO2/c1-11(15-10-6-5-9-13(15)16)14(17)12-7-3-2-4-8-12/h2-10H,1H2
InChIKeyLDNZAPNVHAYNIT-UHFFFAOYSA-N
XLogP2.20
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 7029
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CID 20461540
1-benzoyl-2-benzyl-1,2-dihydropyridin-3(6H)-one
CID 16037828
2-(2-oxopyridin-1(2H)-yl)-1-phenyl-3-(piperidin-1-yl)propane-1,3-dione
CID 3160493
4,6-Dimethyl-2-oxo-1-(2-oxo-2-phenylethyl)-1,2-dihydropyridine-3-carbonitrile
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CID 3746696

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one?
The IUPAC name of 1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one (CID 3007383) is 1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one.
What is the SMILES notation for 1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one?
The canonical SMILES for 1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one is C=C(C(=O)c1ccccc1)n1ccccc1=O.
What is the InChIKey of 1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one?
The InChIKey is LDNZAPNVHAYNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-11(15-10-6-5-9-13(15)16)14(17)12-7-3-2-4-8-12/h2-10H,1H2.
What are the key properties of 1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one?
1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one has a molecular weight of 225.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one is sourced from PubChem (CID 3007383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).