1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one

C15H19NO2 — CID 112536079

IUPAC1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one
SMILESCCc1ccc(CCC(=O)N2CCC(=O)C2)cc1
InChIInChI=1S/C15H19NO2/c1-2-12-3-5-13(6-4-12)7-8-15(18)16-10-9-14(17)11-16/h3-6H,2,7-11H2,1H3
InChIKeyGOEWMXAVJDJMFO-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.98
Rot. Bonds4

About 1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one

1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one (PubChem CID 112536079) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one
PubChem CID112536079
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one
SMILESCCc1ccc(CCC(=O)N2CCC(=O)C2)cc1
InChIInChI=1S/C15H19NO2/c1-2-12-3-5-13(6-4-12)7-8-15(18)16-10-9-14(17)11-16/h3-6H,2,7-11H2,1H3
InChIKeyGOEWMXAVJDJMFO-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one
CID 112536102
3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 110749751
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one;hydrochloride
CID 119374555
1-[3-(4-ethylphenyl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146439
1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one
CID 112536046
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 115277223
1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 84514231
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
5-[4-[3-(4-ethylphenyl)propanoyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110809222
1-[(4-ethylphenyl)methyl]piperidine-2,4-dione
CID 106899915

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one?
The IUPAC name of 1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one (CID 112536079) is 1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one?
The canonical SMILES for 1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one is CCc1ccc(CCC(=O)N2CCC(=O)C2)cc1.
What is the InChIKey of 1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one?
The InChIKey is GOEWMXAVJDJMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-12-3-5-13(6-4-12)7-8-15(18)16-10-9-14(17)11-16/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one?
1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one has a molecular weight of 245.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one is sourced from PubChem (CID 112536079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).