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

C6H9NO2 — CID 22906682

IUPAC1-(oxiran-2-yl)pyrrolidin-2-one
SMILESO=C1CCCN1C1CO1
InChIInChI=1S/C6H9NO2/c8-5-2-1-3-7(5)6-4-9-6/h6H,1-4H2
InChIKeyHJZLEWFINKJKIK-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.03
Rot. Bonds1

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

1-(oxiran-2-yl)pyrrolidin-2-one (PubChem CID 22906682) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-(oxiran-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(oxiran-2-yl)pyrrolidin-2-one
PubChem CID22906682
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1-(oxiran-2-yl)pyrrolidin-2-one
SMILESO=C1CCCN1C1CO1
InChIInChI=1S/C6H9NO2/c8-5-2-1-3-7(5)6-4-9-6/h6H,1-4H2
InChIKeyHJZLEWFINKJKIK-UHFFFAOYSA-N
XLogP-0.03
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.03
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-yl)pyrrolidin-2-one?
The IUPAC name of 1-(oxiran-2-yl)pyrrolidin-2-one (CID 22906682) is 1-(oxiran-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(oxiran-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(oxiran-2-yl)pyrrolidin-2-one is O=C1CCCN1C1CO1.
What is the InChIKey of 1-(oxiran-2-yl)pyrrolidin-2-one?
The InChIKey is HJZLEWFINKJKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-5-2-1-3-7(5)6-4-9-6/h6H,1-4H2.
What are the key properties of 1-(oxiran-2-yl)pyrrolidin-2-one?
1-(oxiran-2-yl)pyrrolidin-2-one has a molecular weight of 127.14 g/mol, XLogP of -0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 22906682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).