methyl 3-methylideneoxirane-2-carboxylate

C5H6O3 — CID 151230325

IUPACmethyl 3-methylideneoxirane-2-carboxylate
SMILESC=C1OC1C(=O)OC
InChIInChI=1S/C5H6O3/c1-3-4(8-3)5(6)7-2/h4H,1H2,2H3
InChIKeyNODKBTQKROKALH-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.07
Rot. Bonds1

About methyl 3-methylideneoxirane-2-carboxylate

methyl 3-methylideneoxirane-2-carboxylate (PubChem CID 151230325) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is methyl 3-methylideneoxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methylideneoxirane-2-carboxylate
PubChem CID151230325
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Namemethyl 3-methylideneoxirane-2-carboxylate
SMILESC=C1OC1C(=O)OC
InChIInChI=1S/C5H6O3/c1-3-4(8-3)5(6)7-2/h4H,1H2,2H3
InChIKeyNODKBTQKROKALH-UHFFFAOYSA-N
XLogP0.07
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-methylideneoxirane-2-carboxylate 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 methyl 3-methylideneoxirane-2-carboxylate?
The IUPAC name of methyl 3-methylideneoxirane-2-carboxylate (CID 151230325) is methyl 3-methylideneoxirane-2-carboxylate.
What is the SMILES notation for methyl 3-methylideneoxirane-2-carboxylate?
The canonical SMILES for methyl 3-methylideneoxirane-2-carboxylate is C=C1OC1C(=O)OC.
What is the InChIKey of methyl 3-methylideneoxirane-2-carboxylate?
The InChIKey is NODKBTQKROKALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c1-3-4(8-3)5(6)7-2/h4H,1H2,2H3.
What are the key properties of methyl 3-methylideneoxirane-2-carboxylate?
methyl 3-methylideneoxirane-2-carboxylate has a molecular weight of 114.10 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methylideneoxirane-2-carboxylate is sourced from PubChem (CID 151230325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).