ethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate

C11H14O2 — CID 13062610

IUPACethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate
SMILESCCOC(=O)/C=C1/CC2C=CCC12
InChIInChI=1S/C11H14O2/c1-2-13-11(12)7-9-6-8-4-3-5-10(8)9/h3-4,7-8,10H,2,5-6H2,1H3/b9-7-
InChIKeyFPGBHJDFMPFCHY-CLFYSBASSA-N
MW178.23 g/mol
LogP2.07
Rot. Bonds2

About ethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate

ethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate (PubChem CID 13062610) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is ethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate
PubChem CID13062610
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Nameethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate
SMILESCCOC(=O)/C=C1/CC2C=CCC12
InChIInChI=1S/C11H14O2/c1-2-13-11(12)7-9-6-8-4-3-5-10(8)9/h3-4,7-8,10H,2,5-6H2,1H3/b9-7-
InChIKeyFPGBHJDFMPFCHY-CLFYSBASSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate (CID 13062610) is ethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate is CCOC(=O)/C=C1/CC2C=CCC12.
What is the InChIKey of ethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate?
The InChIKey is FPGBHJDFMPFCHY-CLFYSBASSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-13-11(12)7-9-6-8-4-3-5-10(8)9/h3-4,7-8,10H,2,5-6H2,1H3/b9-7-.
What are the key properties of ethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate?
ethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate has a molecular weight of 178.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetate is sourced from PubChem (CID 13062610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).