3-(4-ethylphenyl)pyrrolidin-2-one

C12H15NO — CID 82125500

IUPAC3-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccc(C2CCNC2=O)cc1
InChIInChI=1S/C12H15NO/c1-2-9-3-5-10(6-4-9)11-7-8-13-12(11)14/h3-6,11H,2,7-8H2,1H3,(H,13,14)
InChIKeyIAXWOHAVTADCRH-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.85
Rot. Bonds2

About 3-(4-ethylphenyl)pyrrolidin-2-one

3-(4-ethylphenyl)pyrrolidin-2-one (PubChem CID 82125500) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(4-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)pyrrolidin-2-one
PubChem CID82125500
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccc(C2CCNC2=O)cc1
InChIInChI=1S/C12H15NO/c1-2-9-3-5-10(6-4-9)11-7-8-13-12(11)14/h3-6,11H,2,7-8H2,1H3,(H,13,14)
InChIKeyIAXWOHAVTADCRH-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-butylphenyl)pyrrolidin-2-one
CID 82127210
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
5-(4-ethylphenyl)imidazolidine-2,4-dione
CID 60693099
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 141265346
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
(3S)-3-(4-bromophenyl)piperidin-2-one
CID 86326200
ethyl 2-(2,6-difluorophenyl)-4-methyl-6-[[4-(2-oxopyrrolidin-3-yl)phenyl]methyl]pyrimidine-5-carboxylate
CID 158441818
1,4-diethylbenzene;ethane
CID 91207141
3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one
CID 82129055
1-ethyl-4-(4-ethylphenyl)imidazolidin-2-one
CID 116980946
3-(2-methylphenyl)pyrrolidin-2-one
CID 71758474
4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320168

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-(4-ethylphenyl)pyrrolidin-2-one (CID 82125500) is 3-(4-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(4-ethylphenyl)pyrrolidin-2-one is CCc1ccc(C2CCNC2=O)cc1.
What is the InChIKey of 3-(4-ethylphenyl)pyrrolidin-2-one?
The InChIKey is IAXWOHAVTADCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-9-3-5-10(6-4-9)11-7-8-13-12(11)14/h3-6,11H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 3-(4-ethylphenyl)pyrrolidin-2-one?
3-(4-ethylphenyl)pyrrolidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 82125500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).