aziridin-2-one

C10H15N5O5 — CID 158991665

IUPACaziridin-2-one
SMILESO=C1CN1.O=C1CN1.O=C1CN1.O=C1CN1.O=C1CN1
InChIInChI=1S/5C2H3NO/c5*4-2-1-3-2/h5*1H2,(H,3,4)
InChIKeyJQFTWBPRBZDQLU-UHFFFAOYSA-N
MW285.26 g/mol
LogP-4.42
Rot. Bonds

About aziridin-2-one

aziridin-2-one (PubChem CID 158991665) has the molecular formula C10H15N5O5 and a molecular weight of 285.26 g/mol. Its IUPAC name is aziridin-2-one.

Molecular Properties

Compound Nameaziridin-2-one
PubChem CID158991665
Molecular FormulaC10H15N5O5
Molecular Weight285.26 g/mol
Exact Mass285.11
IUPAC Nameaziridin-2-one
SMILESO=C1CN1.O=C1CN1.O=C1CN1.O=C1CN1.O=C1CN1
InChIInChI=1S/5C2H3NO/c5*4-2-1-3-2/h5*1H2,(H,3,4)
InChIKeyJQFTWBPRBZDQLU-UHFFFAOYSA-N
XLogP-4.42
TPSA195.05 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-4.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze aziridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of aziridin-2-one?
The IUPAC name of aziridin-2-one (CID 158991665) is aziridin-2-one.
What is the SMILES notation for aziridin-2-one?
The canonical SMILES for aziridin-2-one is O=C1CN1.O=C1CN1.O=C1CN1.O=C1CN1.O=C1CN1.
What is the InChIKey of aziridin-2-one?
The InChIKey is JQFTWBPRBZDQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/5C2H3NO/c5*4-2-1-3-2/h5*1H2,(H,3,4).
What are the key properties of aziridin-2-one?
aziridin-2-one has a molecular weight of 285.26 g/mol, XLogP of -4.42, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-2-one is sourced from PubChem (CID 158991665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).