5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene

C15H16 — CID 173118499

IUPAC5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene
SMILESC1=CC2=C(CC2)C(=C2CC3C=CC2C3)C1
InChIInChI=1S/C15H16/c1-2-11-6-7-13(11)14(3-1)15-9-10-4-5-12(15)8-10/h1-2,4-5,10,12H,3,6-9H2
InChIKeyUHVWPMLWDLEBFF-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.93
Rot. Bonds

About 5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene

5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene (PubChem CID 173118499) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene
PubChem CID173118499
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene
SMILESC1=CC2=C(CC2)C(=C2CC3C=CC2C3)C1
InChIInChI=1S/C15H16/c1-2-11-6-7-13(11)14(3-1)15-9-10-4-5-12(15)8-10/h1-2,4-5,10,12H,3,6-9H2
InChIKeyUHVWPMLWDLEBFF-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene?
The IUPAC name of 5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene (CID 173118499) is 5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene?
The canonical SMILES for 5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene is C1=CC2=C(CC2)C(=C2CC3C=CC2C3)C1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene?
The InChIKey is UHVWPMLWDLEBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-2-11-6-7-13(11)14(3-1)15-9-10-4-5-12(15)8-10/h1-2,4-5,10,12H,3,6-9H2.
What are the key properties of 5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene?
5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene has a molecular weight of 196.29 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[4.2.0]octa-1(6),2-diene is sourced from PubChem (CID 173118499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).