5-ethenylbicyclo[2.2.1]hept-2-en-2-ol

C9H12O — CID 70232352

IUPAC5-ethenylbicyclo[2.2.1]hept-2-en-2-ol
SMILESC=CC1CC2CC1C=C2O
InChIInChI=1S/C9H12O/c1-2-6-3-8-4-7(6)5-9(8)10/h2,5-8,10H,1,3-4H2
InChIKeyOMYZPYMAMATYFB-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.27
Rot. Bonds1

About 5-ethenylbicyclo[2.2.1]hept-2-en-2-ol

5-ethenylbicyclo[2.2.1]hept-2-en-2-ol (PubChem CID 70232352) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 5-ethenylbicyclo[2.2.1]hept-2-en-2-ol.

Molecular Properties

Compound Name5-ethenylbicyclo[2.2.1]hept-2-en-2-ol
PubChem CID70232352
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name5-ethenylbicyclo[2.2.1]hept-2-en-2-ol
SMILESC=CC1CC2CC1C=C2O
InChIInChI=1S/C9H12O/c1-2-6-3-8-4-7(6)5-9(8)10/h2,5-8,10H,1,3-4H2
InChIKeyOMYZPYMAMATYFB-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethenylbicyclo[2.2.1]hept-2-en-2-ol?
The IUPAC name of 5-ethenylbicyclo[2.2.1]hept-2-en-2-ol (CID 70232352) is 5-ethenylbicyclo[2.2.1]hept-2-en-2-ol.
What is the SMILES notation for 5-ethenylbicyclo[2.2.1]hept-2-en-2-ol?
The canonical SMILES for 5-ethenylbicyclo[2.2.1]hept-2-en-2-ol is C=CC1CC2CC1C=C2O.
What is the InChIKey of 5-ethenylbicyclo[2.2.1]hept-2-en-2-ol?
The InChIKey is OMYZPYMAMATYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-6-3-8-4-7(6)5-9(8)10/h2,5-8,10H,1,3-4H2.
What are the key properties of 5-ethenylbicyclo[2.2.1]hept-2-en-2-ol?
5-ethenylbicyclo[2.2.1]hept-2-en-2-ol has a molecular weight of 136.19 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylbicyclo[2.2.1]hept-2-en-2-ol is sourced from PubChem (CID 70232352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).