7-ethenylbicyclo[2.2.1]heptane

C9H14 — CID 123904783

IUPAC7-ethenylbicyclo[2.2.1]heptane
SMILESC=CC1C2CCC1CC2
InChIInChI=1S/C9H14/c1-2-9-7-3-4-8(9)6-5-7/h2,7-9H,1,3-6H2
InChIKeyIZAHJBLPVXVYTL-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds1

About 7-ethenylbicyclo[2.2.1]heptane

7-ethenylbicyclo[2.2.1]heptane (PubChem CID 123904783) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 7-ethenylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-ethenylbicyclo[2.2.1]heptane
PubChem CID123904783
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name7-ethenylbicyclo[2.2.1]heptane
SMILESC=CC1C2CCC1CC2
InChIInChI=1S/C9H14/c1-2-9-7-3-4-8(9)6-5-7/h2,7-9H,1,3-6H2
InChIKeyIZAHJBLPVXVYTL-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
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 7-ethenylbicyclo[2.2.1]heptane?
The IUPAC name of 7-ethenylbicyclo[2.2.1]heptane (CID 123904783) is 7-ethenylbicyclo[2.2.1]heptane.
What is the SMILES notation for 7-ethenylbicyclo[2.2.1]heptane?
The canonical SMILES for 7-ethenylbicyclo[2.2.1]heptane is C=CC1C2CCC1CC2.
What is the InChIKey of 7-ethenylbicyclo[2.2.1]heptane?
The InChIKey is IZAHJBLPVXVYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-9-7-3-4-8(9)6-5-7/h2,7-9H,1,3-6H2.
What are the key properties of 7-ethenylbicyclo[2.2.1]heptane?
7-ethenylbicyclo[2.2.1]heptane has a molecular weight of 122.21 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenylbicyclo[2.2.1]heptane is sourced from PubChem (CID 123904783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).