methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate

C11H14O4 — CID 15022261

IUPACmethyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate
SMILESCOC(=O)C12CCC1C(=O)C=C(OC)C2
InChIInChI=1S/C11H14O4/c1-14-7-5-9(12)8-3-4-11(8,6-7)10(13)15-2/h5,8H,3-4,6H2,1-2H3
InChIKeyJSFSJFMUEVRITO-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.06
Rot. Bonds2

About methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate

methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate (PubChem CID 15022261) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate
PubChem CID15022261
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate
SMILESCOC(=O)C12CCC1C(=O)C=C(OC)C2
InChIInChI=1S/C11H14O4/c1-14-7-5-9(12)8-3-4-11(8,6-7)10(13)15-2/h5,8H,3-4,6H2,1-2H3
InChIKeyJSFSJFMUEVRITO-UHFFFAOYSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-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 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate?
The IUPAC name of methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate (CID 15022261) is methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate.
What is the SMILES notation for methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate?
The canonical SMILES for methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate is COC(=O)C12CCC1C(=O)C=C(OC)C2.
What is the InChIKey of methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate?
The InChIKey is JSFSJFMUEVRITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-7-5-9(12)8-3-4-11(8,6-7)10(13)15-2/h5,8H,3-4,6H2,1-2H3.
What are the key properties of methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate?
methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate is sourced from PubChem (CID 15022261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).