1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone

C15H19NO2 — CID 82118292

IUPAC1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone
SMILESCCc1ccc(C(=O)C2CCCN2C(C)=O)cc1
InChIInChI=1S/C15H19NO2/c1-3-12-6-8-13(9-7-12)15(18)14-5-4-10-16(14)11(2)17/h6-9,14H,3-5,10H2,1-2H3
InChIKeyJUYSJAHYWHFICL-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.44
Rot. Bonds3

About 1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone

1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone (PubChem CID 82118292) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone
PubChem CID82118292
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone
SMILESCCc1ccc(C(=O)C2CCCN2C(C)=O)cc1
InChIInChI=1S/C15H19NO2/c1-3-12-6-8-13(9-7-12)15(18)14-5-4-10-16(14)11(2)17/h6-9,14H,3-5,10H2,1-2H3
InChIKeyJUYSJAHYWHFICL-UHFFFAOYSA-N
XLogP2.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1,3-benzodioxole-5-carbonyl)pyrrolidin-1-yl]ethanone
CID 82121597
1-(4-ethylbenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77035991
ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate
CID 19772086
[2-(chloromethyl)pyrrolidin-1-yl]-(4-ethylphenyl)methanone
CID 55186866
butyl (2S)-2-(4-octylbenzoyl)pyrrolidine-1-carboxylate
CID 162786126
(2S)-1-[3-(4-ethylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136304
[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 176902068
tert-butyl (2S)-2-(3-ethylbenzoyl)pyrrolidine-1-carboxylate
CID 58580939
1-[1-(4-ethylbenzoyl)azepan-2-yl]propan-2-one
CID 79540812
[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357637
(4-ethylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919674
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone (CID 82118292) is 1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone is CCc1ccc(C(=O)C2CCCN2C(C)=O)cc1.
What is the InChIKey of 1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone?
The InChIKey is JUYSJAHYWHFICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-12-6-8-13(9-7-12)15(18)14-5-4-10-16(14)11(2)17/h6-9,14H,3-5,10H2,1-2H3.
What are the key properties of 1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone?
1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone has a molecular weight of 245.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 82118292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).