3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one

C14H11NO2 — CID 70475987

IUPAC3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one
SMILESO=C(C=Cc1ccc[nH]c1=O)c1ccccc1
InChIInChI=1S/C14H11NO2/c16-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-14(12)17/h1-10H,(H,15,17)
InChIKeyYOCJFFBJZHHYAE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.27
Rot. Bonds3

About 3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one

3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one (PubChem CID 70475987) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one
PubChem CID70475987
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one
SMILESO=C(C=Cc1ccc[nH]c1=O)c1ccccc1
InChIInChI=1S/C14H11NO2/c16-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-14(12)17/h1-10H,(H,15,17)
InChIKeyYOCJFFBJZHHYAE-UHFFFAOYSA-N
XLogP2.27
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 169480024
3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367
(E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one
CID 135051772
1,3-diphenylprop-2-en-1-one;1H-pyrrole
CID 70390442
3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
CID 69039311
3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one
CID 57095346
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one
CID 174792715
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one
CID 72689101
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-1-phenyl-3-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
CID 146448432

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one (CID 70475987) is 3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one is O=C(C=Cc1ccc[nH]c1=O)c1ccccc1.
What is the InChIKey of 3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one?
The InChIKey is YOCJFFBJZHHYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-14(12)17/h1-10H,(H,15,17).
What are the key properties of 3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one?
3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one has a molecular weight of 225.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one is sourced from PubChem (CID 70475987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).