methyl cyclobutene-1-carboxylate

C6H8O2 — CID 11389373

IUPACmethyl cyclobutene-1-carboxylate
SMILESCOC(=O)C1=CCC1
InChIInChI=1S/C6H8O2/c1-8-6(7)5-3-2-4-5/h3H,2,4H2,1H3
InChIKeyJMIOIWRHSVRPJX-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.88
Rot. Bonds1

About methyl cyclobutene-1-carboxylate

methyl cyclobutene-1-carboxylate (PubChem CID 11389373) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is methyl cyclobutene-1-carboxylate.

Molecular Properties

Compound Namemethyl cyclobutene-1-carboxylate
PubChem CID11389373
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Namemethyl cyclobutene-1-carboxylate
SMILESCOC(=O)C1=CCC1
InChIInChI=1S/C6H8O2/c1-8-6(7)5-3-2-4-5/h3H,2,4H2,1H3
InChIKeyJMIOIWRHSVRPJX-UHFFFAOYSA-N
XLogP0.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl cyclobutene-1-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 cyclobutene-1-carboxylate?
The IUPAC name of methyl cyclobutene-1-carboxylate (CID 11389373) is methyl cyclobutene-1-carboxylate.
What is the SMILES notation for methyl cyclobutene-1-carboxylate?
The canonical SMILES for methyl cyclobutene-1-carboxylate is COC(=O)C1=CCC1.
What is the InChIKey of methyl cyclobutene-1-carboxylate?
The InChIKey is JMIOIWRHSVRPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-8-6(7)5-3-2-4-5/h3H,2,4H2,1H3.
What are the key properties of methyl cyclobutene-1-carboxylate?
methyl cyclobutene-1-carboxylate has a molecular weight of 112.13 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl cyclobutene-1-carboxylate is sourced from PubChem (CID 11389373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).