1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one

C18H17FN2O2 — CID 1096681

IUPAC1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one
SMILESO=C(C(=Cc1ccc(F)cc1)n1ccccc1=O)N1CCCC1
InChIInChI=1S/C18H17FN2O2/c19-15-8-6-14(7-9-15)13-16(18(23)20-10-3-4-11-20)21-12-2-1-5-17(21)22/h1-2,5-9,12-13H,3-4,10-11H2
InChIKeyGIMWXSUESPYOEH-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.61
Rot. Bonds3

About 1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one

1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one (PubChem CID 1096681) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one
PubChem CID1096681
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one
SMILESO=C(C(=Cc1ccc(F)cc1)n1ccccc1=O)N1CCCC1
InChIInChI=1S/C18H17FN2O2/c19-15-8-6-14(7-9-15)13-16(18(23)20-10-3-4-11-20)21-12-2-1-5-17(21)22/h1-2,5-9,12-13H,3-4,10-11H2
InChIKeyGIMWXSUESPYOEH-UHFFFAOYSA-N
XLogP2.61
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.61
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

1-[(E)-3-(azepan-1-yl)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one
CID 6369812
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CID 51361867
1-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]pyridin-2-one
CID 7278093
N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride
CID 171151373
ethanol;(E)-3-(4-fluorophenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 21179251
1-[(E)-3-(4-benzylpiperidin-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one
CID 25246820
3-phenyl-2-piperidin-1-ylprop-2-enoic acid
CID 141448411
1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 70767330
(E)-2-chloro-3-phenyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 909634
(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 2162232
N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333343
(Z)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889084

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one?
The IUPAC name of 1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one (CID 1096681) is 1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one is O=C(C(=Cc1ccc(F)cc1)n1ccccc1=O)N1CCCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one?
The InChIKey is GIMWXSUESPYOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-15-8-6-14(7-9-15)13-16(18(23)20-10-3-4-11-20)21-12-2-1-5-17(21)22/h1-2,5-9,12-13H,3-4,10-11H2.
What are the key properties of 1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one?
1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one has a molecular weight of 312.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]pyridin-2-one is sourced from PubChem (CID 1096681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).