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

C10H14O2 — CID 12033358

IUPACmethyl 2-(7-bicyclo[4.1.0]heptanylidene)acetate
SMILESCOC(=O)C=C1C2CCCCC12
InChIInChI=1S/C10H14O2/c1-12-10(11)6-9-7-4-2-3-5-8(7)9/h6-8H,2-5H2,1H3
InChIKeyVUBUQDPUPLSIJD-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.91
Rot. Bonds1

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

methyl 2-(7-bicyclo[4.1.0]heptanylidene)acetate (PubChem CID 12033358) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is methyl 2-(7-bicyclo[4.1.0]heptanylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(7-bicyclo[4.1.0]heptanylidene)acetate
PubChem CID12033358
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namemethyl 2-(7-bicyclo[4.1.0]heptanylidene)acetate
SMILESCOC(=O)C=C1C2CCCCC12
InChIInChI=1S/C10H14O2/c1-12-10(11)6-9-7-4-2-3-5-8(7)9/h6-8H,2-5H2,1H3
InChIKeyVUBUQDPUPLSIJD-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-bicyclo[4.1.0]heptanylidene)acetate?
The IUPAC name of methyl 2-(7-bicyclo[4.1.0]heptanylidene)acetate (CID 12033358) is methyl 2-(7-bicyclo[4.1.0]heptanylidene)acetate.
What is the SMILES notation for methyl 2-(7-bicyclo[4.1.0]heptanylidene)acetate?
The canonical SMILES for methyl 2-(7-bicyclo[4.1.0]heptanylidene)acetate is COC(=O)C=C1C2CCCCC12.
What is the InChIKey of methyl 2-(7-bicyclo[4.1.0]heptanylidene)acetate?
The InChIKey is VUBUQDPUPLSIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-12-10(11)6-9-7-4-2-3-5-8(7)9/h6-8H,2-5H2,1H3.
What are the key properties of methyl 2-(7-bicyclo[4.1.0]heptanylidene)acetate?
methyl 2-(7-bicyclo[4.1.0]heptanylidene)acetate has a molecular weight of 166.22 g/mol, XLogP of 1.91, 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)acetate is sourced from PubChem (CID 12033358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).