1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one

C17H18FNO2 — CID 134405081

IUPAC1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one
SMILESC=C(O/C(C)=C/C(=C)N1CCCC1=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-12(19-10-4-5-17(19)20)11-13(2)21-14(3)15-6-8-16(18)9-7-15/h6-9,11H,1,3-5,10H2,2H3/b13-11+
InChIKeyAMFIUNNPRJVGAF-ACCUITESSA-N
MW287.33 g/mol
LogP3.85
Rot. Bonds5

About 1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one

1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one (PubChem CID 134405081) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one
PubChem CID134405081
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one
SMILESC=C(O/C(C)=C/C(=C)N1CCCC1=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-12(19-10-4-5-17(19)20)11-13(2)21-14(3)15-6-8-16(18)9-7-15/h6-9,11H,1,3-5,10H2,2H3/b13-11+
InChIKeyAMFIUNNPRJVGAF-ACCUITESSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Methcathinone, HFB
CID 91747150
1-Cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one
CID 11382435
1-allyl-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one
CID 22051008
4-[(2,4-Difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 22051069
1-Cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one
CID 70955668
5-Ethylidene-3-[2-[1-(4-fluoro-2-methylphenyl)ethenoxy]prop-2-enylidene]pyrrolidin-2-one
CID 123189927
7-[(2,4-Difluorophenyl)methoxy]-6-ethyl-1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 123638811
1-(Cyclopropylmethyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 140492928
1-[(5-Fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one
CID 143008439
4-[(4-Fluorophenyl)methoxy]-1-[5-methoxy-4-(2-pyrrolidin-1-ylethoxy)cyclohepta-1,3,5-trien-1-yl]pyridin-2-one
CID 143099785
1-(1-Phenylmethoxyprop-2-enyl)pyrrolidin-2-one
CID 85966465
4-[(1R)-1-phenylethoxy]-1-pyrrolidin-1-ylbutan-1-one
CID 139254716

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one (CID 134405081) is 1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one is C=C(O/C(C)=C/C(=C)N1CCCC1=O)c1ccc(F)cc1.
What is the InChIKey of 1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one?
The InChIKey is AMFIUNNPRJVGAF-ACCUITESSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12(19-10-4-5-17(19)20)11-13(2)21-14(3)15-6-8-16(18)9-7-15/h6-9,11H,1,3-5,10H2,2H3/b13-11+.
What are the key properties of 1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one?
1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one has a molecular weight of 287.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-4-[1-(4-fluorophenyl)ethenoxy]penta-1,3-dien-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 134405081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).