2-(2-Oxopyrrolidin-1-yl)ethyl benzoate

C13H15NO3 — CID 2375131

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl benzoate
SMILESC1CC(=O)N(C1)CCOC(=O)C2=CC=CC=C2
InChIInChI=1S/C13H15NO3/c15-12-7-4-8-14(12)9-10-17-13(16)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeySMRCUEXAJXDSKB-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.30
Rot. Bonds5

About 2-(2-Oxopyrrolidin-1-yl)ethyl benzoate

2-(2-Oxopyrrolidin-1-yl)ethyl benzoate (PubChem CID 2375131) has the molecular formula C13H15NO3 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl benzoate.

Molecular Properties

Compound Name2-(2-Oxopyrrolidin-1-yl)ethyl benzoate
PubChem CID2375131
Molecular FormulaC13H15NO3
Molecular Weight233.26 g/mol
Exact Mass233.11
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl benzoate
SMILESC1CC(=O)N(C1)CCOC(=O)C2=CC=CC=C2
InChIInChI=1S/C13H15NO3/c15-12-7-4-8-14(12)9-10-17-13(16)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeySMRCUEXAJXDSKB-UHFFFAOYSA-N
XLogP1.30
TPSA46.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity284

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Amylocaine
CID 10767
Amyleine hydrochloride
CID 10766
Benzoylcholine chloride
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4-Fluoro-benzoic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
CID 24746780
Benzoic acid 2-morpholin-4-yl-ethyl ester
CID 2836419
Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 197768
2-Dimethylaminoethyl benzoate
CID 75158
Benzoylcholine
CID 16632
[2-(Cyclopentylamino)-2-oxoethyl] benzoate
CID 2346228
[2-(Azepan-1-yl)-2-oxoethyl] 3,5-dimethylbenzoate
CID 2434321
[2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2491225
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate
CID 8934192

Frequently Asked Questions

What is the IUPAC name of 2-(2-Oxopyrrolidin-1-yl)ethyl benzoate?
The IUPAC name of 2-(2-Oxopyrrolidin-1-yl)ethyl benzoate (CID 2375131) is 2-(2-oxopyrrolidin-1-yl)ethyl benzoate.
What is the SMILES notation for 2-(2-Oxopyrrolidin-1-yl)ethyl benzoate?
The canonical SMILES for 2-(2-Oxopyrrolidin-1-yl)ethyl benzoate is C1CC(=O)N(C1)CCOC(=O)C2=CC=CC=C2.
What is the InChIKey of 2-(2-Oxopyrrolidin-1-yl)ethyl benzoate?
The InChIKey is SMRCUEXAJXDSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12-7-4-8-14(12)9-10-17-13(16)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2.
What are the key properties of 2-(2-Oxopyrrolidin-1-yl)ethyl benzoate?
2-(2-Oxopyrrolidin-1-yl)ethyl benzoate has a molecular weight of 233.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-Oxopyrrolidin-1-yl)ethyl benzoate is sourced from PubChem (CID 2375131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).