2-(2-oxopyrrolidin-1-yl)ethyl formate

C7H11NO3 — CID 57039874

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl formate
SMILESO=COCCN1CCCC1=O
InChIInChI=1S/C7H11NO3/c9-6-11-5-4-8-3-1-2-7(8)10/h6H,1-5H2
InChIKeyRXGCWEINKLLCQZ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.22
Rot. Bonds4

About 2-(2-oxopyrrolidin-1-yl)ethyl formate

2-(2-oxopyrrolidin-1-yl)ethyl formate (PubChem CID 57039874) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl formate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl formate
PubChem CID57039874
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl formate
SMILESO=COCCN1CCCC1=O
InChIInChI=1S/C7H11NO3/c9-6-11-5-4-8-3-1-2-7(8)10/h6H,1-5H2
InChIKeyRXGCWEINKLLCQZ-UHFFFAOYSA-N
XLogP-0.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-oxopyrrolidin-1-yl)ethyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-oxo-1-pyrrolidineacetate
CID 108835
2-(2-Oxopyrrolidin-1-yl)ethyl acetate
CID 20077594
N-(b-ethoxyethyl)pyrrolidone
CID 22012934
1-(2-Methoxyethyl)pyrrolidin-2-one
CID 103911
3-(4-Fluorobutanoyl)-1,3-oxazolidin-2-one
CID 141333750
4-Fluoro-1-(2-methoxyethyl)pyrrolidin-2-one
CID 144814359
4-Oxo-4-(2-oxo-oxazolidin-3-yl)-butyraldehyde
CID 10607265
2-Oxazolidinone, 3-(1-oxobutyl)-
CID 11240626
2,5-Pyrrolidinedione, 1-(2-methoxyethyl)-
CID 12201128
1-(2,2-Dimethoxyethyl)pyrrolidin-2-one
CID 13530012
(2-Oxopyrrolidin-1-yl)methyl formate
CID 21221161
1-(Oxiran-2-yl)pyrrolidin-2-one
CID 22906682

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl formate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl formate (CID 57039874) is 2-(2-oxopyrrolidin-1-yl)ethyl formate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl formate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl formate is O=COCCN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl formate?
The InChIKey is RXGCWEINKLLCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-6-11-5-4-8-3-1-2-7(8)10/h6H,1-5H2.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl formate?
2-(2-oxopyrrolidin-1-yl)ethyl formate has a molecular weight of 157.17 g/mol, XLogP of -0.22, 4 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 formate is sourced from PubChem (CID 57039874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).