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

C8H13NO3 — CID 91807872

IUPAC1-(2-oxopyrrolidin-1-yl)propyl formate
SMILESCCC(OC=O)N1CCCC1=O
InChIInChI=1S/C8H13NO3/c1-2-8(12-6-10)9-5-3-4-7(9)11/h6,8H,2-5H2,1H3
InChIKeyGIXUNKREFYKHSP-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.52
Rot. Bonds4

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

1-(2-oxopyrrolidin-1-yl)propyl formate (PubChem CID 91807872) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(2-oxopyrrolidin-1-yl)propyl formate.

Molecular Properties

Compound Name1-(2-oxopyrrolidin-1-yl)propyl formate
PubChem CID91807872
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-(2-oxopyrrolidin-1-yl)propyl formate
SMILESCCC(OC=O)N1CCCC1=O
InChIInChI=1S/C8H13NO3/c1-2-8(12-6-10)9-5-3-4-7(9)11/h6,8H,2-5H2,1H3
InChIKeyGIXUNKREFYKHSP-UHFFFAOYSA-N
XLogP0.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.52
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)propyl formate?
The IUPAC name of 1-(2-oxopyrrolidin-1-yl)propyl formate (CID 91807872) is 1-(2-oxopyrrolidin-1-yl)propyl formate.
What is the SMILES notation for 1-(2-oxopyrrolidin-1-yl)propyl formate?
The canonical SMILES for 1-(2-oxopyrrolidin-1-yl)propyl formate is CCC(OC=O)N1CCCC1=O.
What is the InChIKey of 1-(2-oxopyrrolidin-1-yl)propyl formate?
The InChIKey is GIXUNKREFYKHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-8(12-6-10)9-5-3-4-7(9)11/h6,8H,2-5H2,1H3.
What are the key properties of 1-(2-oxopyrrolidin-1-yl)propyl formate?
1-(2-oxopyrrolidin-1-yl)propyl formate has a molecular weight of 171.20 g/mol, XLogP of 0.52, 4 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)propyl formate is sourced from PubChem (CID 91807872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).