(2-oxopyrrolidin-1-yl)methyl formate

C6H9NO3 — CID 21221161

IUPAC(2-oxopyrrolidin-1-yl)methyl formate
SMILESO=COCN1CCCC1=O
InChIInChI=1S/C6H9NO3/c8-5-10-4-7-3-1-2-6(7)9/h5H,1-4H2
InChIKeyAADZAWAXMLIBDC-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.26
Rot. Bonds3

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

(2-oxopyrrolidin-1-yl)methyl formate (PubChem CID 21221161) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl)methyl formate.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl)methyl formate
PubChem CID21221161
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2-oxopyrrolidin-1-yl)methyl formate
SMILESO=COCN1CCCC1=O
InChIInChI=1S/C6H9NO3/c8-5-10-4-7-3-1-2-6(7)9/h5H,1-4H2
InChIKeyAADZAWAXMLIBDC-UHFFFAOYSA-N
XLogP-0.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.26
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 (2-oxopyrrolidin-1-yl)methyl formate?
The IUPAC name of (2-oxopyrrolidin-1-yl)methyl formate (CID 21221161) is (2-oxopyrrolidin-1-yl)methyl formate.
What is the SMILES notation for (2-oxopyrrolidin-1-yl)methyl formate?
The canonical SMILES for (2-oxopyrrolidin-1-yl)methyl formate is O=COCN1CCCC1=O.
What is the InChIKey of (2-oxopyrrolidin-1-yl)methyl formate?
The InChIKey is AADZAWAXMLIBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-5-10-4-7-3-1-2-6(7)9/h5H,1-4H2.
What are the key properties of (2-oxopyrrolidin-1-yl)methyl formate?
(2-oxopyrrolidin-1-yl)methyl formate has a molecular weight of 143.14 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl)methyl formate is sourced from PubChem (CID 21221161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).