methyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate

C11H14O3 — CID 13082854

IUPACmethyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate
SMILESC=C1CC2(C(=O)OC)CC(=O)CC1C2
InChIInChI=1S/C11H14O3/c1-7-4-11(10(13)14-2)5-8(7)3-9(12)6-11/h8H,1,3-6H2,2H3
InChIKeyJIOHDRPYVCJBNJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.47
Rot. Bonds1

About methyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate

methyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate (PubChem CID 13082854) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate
PubChem CID13082854
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate
SMILESC=C1CC2(C(=O)OC)CC(=O)CC1C2
InChIInChI=1S/C11H14O3/c1-7-4-11(10(13)14-2)5-8(7)3-9(12)6-11/h8H,1,3-6H2,2H3
InChIKeyJIOHDRPYVCJBNJ-UHFFFAOYSA-N
XLogP1.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 6-methylidene-3-oxobicyclo[3.2.1]octane-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

Related Compounds

3-[(1S,2S,5R)-6-methylidene-4-oxo-2-prop-1-en-2-yl-1-bicyclo[3.2.1]octanyl]propyl 2,2-dimethylpropanoate
CID 10710698
Methyl 5-methyl-6-methylidene-2-oxobicyclo[3.2.1]octane-1-carboxylate
CID 13929064
ethyl (1R,5R)-6-methylidene-2-oxobicyclo[3.2.1]octane-1-carboxylate
CID 15064857
methyl (1R,5S)-7-methylidene-2-oxobicyclo[3.2.1]octane-1-carboxylate
CID 93508931
methyl 2-[(1R)-1,3,3-trimethyl-2-methylidene-6-oxocyclohexyl]acetate
CID 11447431
Ethyl 6-methylidene-8-oxobicyclo[3.2.1]octane-1-carboxylate
CID 14828717
2-Carbomethoxymethyl-2-ethyl-5-(1-methylethenyl)-cyclohexanone
CID 20242797
Methyl 1-(5-methyl-2-oxohex-5-en-3-yl)cyclohexane-1-carboxylate
CID 23396876
ethyl (4E)-4-(methoxymethylidene)bicyclo[3.2.1]octane-1-carboxylate
CID 67078078
Ethyl 4-(methoxymethylidene)bicyclo[3.2.1]octane-1-carboxylate
CID 67078080
6-Methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylic acid
CID 85619153
Ethyl 2-methylidenebicyclo[3.2.1]octane-1-carboxylate
CID 141038207

Frequently Asked Questions

What is the IUPAC name of methyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate?
The IUPAC name of methyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate (CID 13082854) is methyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate.
What is the SMILES notation for methyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate?
The canonical SMILES for methyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate is C=C1CC2(C(=O)OC)CC(=O)CC1C2.
What is the InChIKey of methyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate?
The InChIKey is JIOHDRPYVCJBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-4-11(10(13)14-2)5-8(7)3-9(12)6-11/h8H,1,3-6H2,2H3.
What are the key properties of methyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate?
methyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methylidene-3-oxobicyclo[3.2.1]octane-1-carboxylate is sourced from PubChem (CID 13082854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).