3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one

C12H14N2O3 — CID 118347838

IUPAC3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one
SMILESCCC1(c2ccc([N+](=O)[O-])cc2)CCNC1=O
InChIInChI=1S/C12H14N2O3/c1-2-12(7-8-13-11(12)15)9-3-5-10(6-4-9)14(16)17/h3-6H,2,7-8H2,1H3,(H,13,15)
InChIKeyRPHLFJLWKOFUFP-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.76
Rot. Bonds3

About 3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one

3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one (PubChem CID 118347838) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one
PubChem CID118347838
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one
SMILESCCC1(c2ccc([N+](=O)[O-])cc2)CCNC1=O
InChIInChI=1S/C12H14N2O3/c1-2-12(7-8-13-11(12)15)9-3-5-10(6-4-9)14(16)17/h3-6H,2,7-8H2,1H3,(H,13,15)
InChIKeyRPHLFJLWKOFUFP-UHFFFAOYSA-N
XLogP1.76
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione
CID 129396617
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 60576778
ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 144913262
2,2-diethyl-3-(4-nitrophenyl)cyclobutan-1-one
CID 81416538
[1-(4-nitrophenyl)cyclopropyl]methanamine
CID 16641700
[(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol
CID 142235254
2-(4-nitrophenyl)-2-prop-2-enylcyclohexan-1-one
CID 132535562
2-(2,6-difluorophenyl)-4-[4-(3-ethyl-2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 118341442
1-[(1S)-2,2-dichloro-1-methylcyclopropyl]-4-nitrobenzene
CID 804648
1-[1-(iodomethyl)cyclobutyl]-4-nitrobenzene
CID 59362303
2-methyl-2-(4-nitrophenyl)-1,3-oxazinane
CID 10398625
5-(3,4-dinitrophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
CID 71372442

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one (CID 118347838) is 3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one is CCC1(c2ccc([N+](=O)[O-])cc2)CCNC1=O.
What is the InChIKey of 3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one?
The InChIKey is RPHLFJLWKOFUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-12(7-8-13-11(12)15)9-3-5-10(6-4-9)14(16)17/h3-6H,2,7-8H2,1H3,(H,13,15).
What are the key properties of 3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one?
3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one has a molecular weight of 234.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 118347838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).