1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one

C13H17NO2 — CID 141398583

IUPAC1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCCN1C(=O)CCC1c1ccc(OC)cc1
InChIInChI=1S/C13H17NO2/c1-3-14-12(8-9-13(14)15)10-4-6-11(16-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3
InChIKeyOTNHXJLALXFIMB-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.38
Rot. Bonds3

About 1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one

1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 141398583) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID141398583
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCCN1C(=O)CCC1c1ccc(OC)cc1
InChIInChI=1S/C13H17NO2/c1-3-14-12(8-9-13(14)15)10-4-6-11(16-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3
InChIKeyOTNHXJLALXFIMB-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 91888366
(2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7188451
1-ethanimidoyl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 143665935
tert-butyl (2R)-2-(4-methoxyphenyl)-5-oxopyrrolidine-1-carboxylate
CID 24813040
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 124629774
1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione
CID 177475011
(2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 110087370
1-(2-hydroxyethyl)-5-(4-methoxyphenyl)imidazolidin-2-one
CID 105497638
(5S,6S)-5-(hydroxymethyl)-6-(4-methoxyphenyl)-1-methylpiperidin-2-one
CID 95240640
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
3-(4-methoxyphenyl)cyclopentan-1-one
CID 14090910

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one (CID 141398583) is 1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one is CCN1C(=O)CCC1c1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is OTNHXJLALXFIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-14-12(8-9-13(14)15)10-4-6-11(16-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of 1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one?
1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 141398583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).