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

C7H11NO3 — CID 54526929

IUPAC1-(2-oxopyrrolidin-1-yl)ethyl formate
SMILESCC(OC=O)N1CCCC1=O
InChIInChI=1S/C7H11NO3/c1-6(11-5-9)8-4-2-3-7(8)10/h5-6H,2-4H2,1H3
InChIKeyATBGQEIIZFXRCM-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.13
Rot. Bonds3

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

1-(2-oxopyrrolidin-1-yl)ethyl formate (PubChem CID 54526929) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-(2-oxopyrrolidin-1-yl)ethyl formate.

Molecular Properties

Compound Name1-(2-oxopyrrolidin-1-yl)ethyl formate
PubChem CID54526929
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name1-(2-oxopyrrolidin-1-yl)ethyl formate
SMILESCC(OC=O)N1CCCC1=O
InChIInChI=1S/C7H11NO3/c1-6(11-5-9)8-4-2-3-7(8)10/h5-6H,2-4H2,1H3
InChIKeyATBGQEIIZFXRCM-UHFFFAOYSA-N
XLogP0.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopyrrolidin-1-yl)ethyl formate?
The IUPAC name of 1-(2-oxopyrrolidin-1-yl)ethyl formate (CID 54526929) is 1-(2-oxopyrrolidin-1-yl)ethyl formate.
What is the SMILES notation for 1-(2-oxopyrrolidin-1-yl)ethyl formate?
The canonical SMILES for 1-(2-oxopyrrolidin-1-yl)ethyl formate is CC(OC=O)N1CCCC1=O.
What is the InChIKey of 1-(2-oxopyrrolidin-1-yl)ethyl formate?
The InChIKey is ATBGQEIIZFXRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-6(11-5-9)8-4-2-3-7(8)10/h5-6H,2-4H2,1H3.
What are the key properties of 1-(2-oxopyrrolidin-1-yl)ethyl formate?
1-(2-oxopyrrolidin-1-yl)ethyl formate has a molecular weight of 157.17 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopyrrolidin-1-yl)ethyl formate is sourced from PubChem (CID 54526929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).