methyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate

C11H16O2 — CID 12033362

IUPACmethyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate
SMILESCOC(=O)C(C)=C1C2CCCCC12
InChIInChI=1S/C11H16O2/c1-7(11(12)13-2)10-8-5-3-4-6-9(8)10/h8-9H,3-6H2,1-2H3
InChIKeyAIXHNRYWEMVABD-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds1

About methyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate

methyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate (PubChem CID 12033362) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is methyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate.

Molecular Properties

Compound Namemethyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate
PubChem CID12033362
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namemethyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate
SMILESCOC(=O)C(C)=C1C2CCCCC12
InChIInChI=1S/C11H16O2/c1-7(11(12)13-2)10-8-5-3-4-6-9(8)10/h8-9H,3-6H2,1-2H3
InChIKeyAIXHNRYWEMVABD-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate 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 2-(7-bicyclo[4.1.0]heptanylidene)propanoate?
The IUPAC name of methyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate (CID 12033362) is methyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate.
What is the SMILES notation for methyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate?
The canonical SMILES for methyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate is COC(=O)C(C)=C1C2CCCCC12.
What is the InChIKey of methyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate?
The InChIKey is AIXHNRYWEMVABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7(11(12)13-2)10-8-5-3-4-6-9(8)10/h8-9H,3-6H2,1-2H3.
What are the key properties of methyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate?
methyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate has a molecular weight of 180.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-bicyclo[4.1.0]heptanylidene)propanoate is sourced from PubChem (CID 12033362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).