bicyclo[4.2.1]non-4-en-3-ol

C9H14O — CID 130142905

IUPACbicyclo[4.2.1]non-4-en-3-ol
SMILESOC1C=CC2CCC(C1)C2
InChIInChI=1S/C9H14O/c10-9-4-3-7-1-2-8(5-7)6-9/h3-4,7-10H,1-2,5-6H2
InChIKeyXZLFNIOYQIGVOB-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.72
Rot. Bonds

About bicyclo[4.2.1]non-4-en-3-ol

bicyclo[4.2.1]non-4-en-3-ol (PubChem CID 130142905) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is bicyclo[4.2.1]non-4-en-3-ol.

Molecular Properties

Compound Namebicyclo[4.2.1]non-4-en-3-ol
PubChem CID130142905
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Namebicyclo[4.2.1]non-4-en-3-ol
SMILESOC1C=CC2CCC(C1)C2
InChIInChI=1S/C9H14O/c10-9-4-3-7-1-2-8(5-7)6-9/h3-4,7-10H,1-2,5-6H2
InChIKeyXZLFNIOYQIGVOB-UHFFFAOYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.72
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 bicyclo[4.2.1]non-4-en-3-ol?
The IUPAC name of bicyclo[4.2.1]non-4-en-3-ol (CID 130142905) is bicyclo[4.2.1]non-4-en-3-ol.
What is the SMILES notation for bicyclo[4.2.1]non-4-en-3-ol?
The canonical SMILES for bicyclo[4.2.1]non-4-en-3-ol is OC1C=CC2CCC(C1)C2.
What is the InChIKey of bicyclo[4.2.1]non-4-en-3-ol?
The InChIKey is XZLFNIOYQIGVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c10-9-4-3-7-1-2-8(5-7)6-9/h3-4,7-10H,1-2,5-6H2.
What are the key properties of bicyclo[4.2.1]non-4-en-3-ol?
bicyclo[4.2.1]non-4-en-3-ol has a molecular weight of 138.21 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.1]non-4-en-3-ol is sourced from PubChem (CID 130142905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).