2-(chloromethylidene)oxirane

C3H3ClO — CID 123204950

IUPAC2-(chloromethylidene)oxirane
SMILESClC=C1CO1
InChIInChI=1S/C3H3ClO/c4-1-3-2-5-3/h1H,2H2
InChIKeyMYXSXAXLDQFICC-UHFFFAOYSA-N
MW90.51 g/mol
LogP1.10
Rot. Bonds

About 2-(chloromethylidene)oxirane

2-(chloromethylidene)oxirane (PubChem CID 123204950) has the molecular formula C3H3ClO and a molecular weight of 90.51 g/mol. Its IUPAC name is 2-(chloromethylidene)oxirane.

Molecular Properties

Compound Name2-(chloromethylidene)oxirane
PubChem CID123204950
Molecular FormulaC3H3ClO
Molecular Weight90.51 g/mol
Exact Mass89.99
IUPAC Name2-(chloromethylidene)oxirane
SMILESClC=C1CO1
InChIInChI=1S/C3H3ClO/c4-1-3-2-5-3/h1H,2H2
InChIKeyMYXSXAXLDQFICC-UHFFFAOYSA-N
XLogP1.10
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.51
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(chloromethylidene)oxirane?
The IUPAC name of 2-(chloromethylidene)oxirane (CID 123204950) is 2-(chloromethylidene)oxirane.
What is the SMILES notation for 2-(chloromethylidene)oxirane?
The canonical SMILES for 2-(chloromethylidene)oxirane is ClC=C1CO1.
What is the InChIKey of 2-(chloromethylidene)oxirane?
The InChIKey is MYXSXAXLDQFICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClO/c4-1-3-2-5-3/h1H,2H2.
What are the key properties of 2-(chloromethylidene)oxirane?
2-(chloromethylidene)oxirane has a molecular weight of 90.51 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethylidene)oxirane is sourced from PubChem (CID 123204950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).