8-azabicyclo[3.2.1]oct-6-en-3-ol

C7H11NO — CID 55287933

IUPAC8-azabicyclo[3.2.1]oct-6-en-3-ol
SMILESOC1CC2C=CC(C1)N2
InChIInChI=1S/C7H11NO/c9-7-3-5-1-2-6(4-7)8-5/h1-2,5-9H,3-4H2
InChIKeyZVWDACLWQCFPKQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.04
Rot. Bonds

About 8-azabicyclo[3.2.1]oct-6-en-3-ol

8-azabicyclo[3.2.1]oct-6-en-3-ol (PubChem CID 55287933) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]oct-6-en-3-ol.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]oct-6-en-3-ol
PubChem CID55287933
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name8-azabicyclo[3.2.1]oct-6-en-3-ol
SMILESOC1CC2C=CC(C1)N2
InChIInChI=1S/C7H11NO/c9-7-3-5-1-2-6(4-7)8-5/h1-2,5-9H,3-4H2
InChIKeyZVWDACLWQCFPKQ-UHFFFAOYSA-N
XLogP0.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 8-azabicyclo[3.2.1]oct-6-en-3-ol?
The IUPAC name of 8-azabicyclo[3.2.1]oct-6-en-3-ol (CID 55287933) is 8-azabicyclo[3.2.1]oct-6-en-3-ol.
What is the SMILES notation for 8-azabicyclo[3.2.1]oct-6-en-3-ol?
The canonical SMILES for 8-azabicyclo[3.2.1]oct-6-en-3-ol is OC1CC2C=CC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]oct-6-en-3-ol?
The InChIKey is ZVWDACLWQCFPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-7-3-5-1-2-6(4-7)8-5/h1-2,5-9H,3-4H2.
What are the key properties of 8-azabicyclo[3.2.1]oct-6-en-3-ol?
8-azabicyclo[3.2.1]oct-6-en-3-ol has a molecular weight of 125.17 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]oct-6-en-3-ol is sourced from PubChem (CID 55287933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).