(2,3-13C2)oxirane

C2H4O — CID 13000640

IUPAC(2,3-13C2)oxirane
SMILES[13CH2]1[13CH2]O1
InChIInChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1+1,2+1
InChIKeyIAYPIBMASNFSPL-ZDOIIHCHSA-N
MW46.04 g/mol
LogP0.02
Rot. Bonds

About (2,3-13C2)oxirane

(2,3-13C2)oxirane (PubChem CID 13000640) has the molecular formula C2H4O and a molecular weight of 46.04 g/mol. Its IUPAC name is (2,3-13C2)oxirane.

Molecular Properties

Compound Name(2,3-13C2)oxirane
PubChem CID13000640
Molecular FormulaC2H4O
Molecular Weight46.04 g/mol
Exact Mass46.03
IUPAC Name(2,3-13C2)oxirane
SMILES[13CH2]1[13CH2]O1
InChIInChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1+1,2+1
InChIKeyIAYPIBMASNFSPL-ZDOIIHCHSA-N
XLogP0.02
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50046.04
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2,3-13C2)oxirane 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 (2,3-13C2)oxirane?
The IUPAC name of (2,3-13C2)oxirane (CID 13000640) is (2,3-13C2)oxirane.
What is the SMILES notation for (2,3-13C2)oxirane?
The canonical SMILES for (2,3-13C2)oxirane is [13CH2]1[13CH2]O1.
What is the InChIKey of (2,3-13C2)oxirane?
The InChIKey is IAYPIBMASNFSPL-ZDOIIHCHSA-N. The full InChI is InChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1+1,2+1.
What are the key properties of (2,3-13C2)oxirane?
(2,3-13C2)oxirane has a molecular weight of 46.04 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-13C2)oxirane is sourced from PubChem (CID 13000640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).