(5-oxopyrrolidin-2-yl)methyl formate

C6H9NO3 — CID 21221170

IUPAC(5-oxopyrrolidin-2-yl)methyl formate
SMILESO=COCC1CCC(=O)N1
InChIInChI=1S/C6H9NO3/c8-4-10-3-5-1-2-6(9)7-5/h4-5H,1-3H2,(H,7,9)
InChIKeyVLMXBMBTASQJHE-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.56
Rot. Bonds3

About (5-oxopyrrolidin-2-yl)methyl formate

(5-oxopyrrolidin-2-yl)methyl formate (PubChem CID 21221170) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (5-oxopyrrolidin-2-yl)methyl formate.

Molecular Properties

Compound Name(5-oxopyrrolidin-2-yl)methyl formate
PubChem CID21221170
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(5-oxopyrrolidin-2-yl)methyl formate
SMILESO=COCC1CCC(=O)N1
InChIInChI=1S/C6H9NO3/c8-4-10-3-5-1-2-6(9)7-5/h4-5H,1-3H2,(H,7,9)
InChIKeyVLMXBMBTASQJHE-UHFFFAOYSA-N
XLogP-0.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
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 (5-oxopyrrolidin-2-yl)methyl formate?
The IUPAC name of (5-oxopyrrolidin-2-yl)methyl formate (CID 21221170) is (5-oxopyrrolidin-2-yl)methyl formate.
What is the SMILES notation for (5-oxopyrrolidin-2-yl)methyl formate?
The canonical SMILES for (5-oxopyrrolidin-2-yl)methyl formate is O=COCC1CCC(=O)N1.
What is the InChIKey of (5-oxopyrrolidin-2-yl)methyl formate?
The InChIKey is VLMXBMBTASQJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-4-10-3-5-1-2-6(9)7-5/h4-5H,1-3H2,(H,7,9).
What are the key properties of (5-oxopyrrolidin-2-yl)methyl formate?
(5-oxopyrrolidin-2-yl)methyl formate has a molecular weight of 143.14 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-2-yl)methyl formate is sourced from PubChem (CID 21221170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).