1-(oxiran-2-ylmethyl)pyrrolidin-2-one

C7H11NO2 — CID 2764025

IUPAC1-(oxiran-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC1CO1
InChIInChI=1S/C7H11NO2/c9-7-2-1-3-8(7)4-6-5-10-6/h6H,1-5H2
InChIKeyZNCCGGMWVUBVBO-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.01
Rot. Bonds2

About 1-(oxiran-2-ylmethyl)pyrrolidin-2-one

1-(oxiran-2-ylmethyl)pyrrolidin-2-one (PubChem CID 2764025) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(oxiran-2-ylmethyl)pyrrolidin-2-one
PubChem CID2764025
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-(oxiran-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC1CO1
InChIInChI=1S/C7H11NO2/c9-7-2-1-3-8(7)4-6-5-10-6/h6H,1-5H2
InChIKeyZNCCGGMWVUBVBO-UHFFFAOYSA-N
XLogP0.01
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(oxiran-2-ylmethyl)pyrrolidin-2-one (CID 2764025) is 1-(oxiran-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(oxiran-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(oxiran-2-ylmethyl)pyrrolidin-2-one is O=C1CCCN1CC1CO1.
What is the InChIKey of 1-(oxiran-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is ZNCCGGMWVUBVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-7-2-1-3-8(7)4-6-5-10-6/h6H,1-5H2.
What are the key properties of 1-(oxiran-2-ylmethyl)pyrrolidin-2-one?
1-(oxiran-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 2764025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).