6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol

C9H15NO — CID 166882189

IUPAC6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol
SMILESCC1C2C=CC(O)C1N(C)C2
InChIInChI=1S/C9H15NO/c1-6-7-3-4-8(11)9(6)10(2)5-7/h3-4,6-9,11H,5H2,1-2H3
InChIKeyQCLDIPBXDDNHPU-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.48
Rot. Bonds

About 6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol

6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol (PubChem CID 166882189) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol.

Molecular Properties

Compound Name6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol
PubChem CID166882189
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol
SMILESCC1C2C=CC(O)C1N(C)C2
InChIInChI=1S/C9H15NO/c1-6-7-3-4-8(11)9(6)10(2)5-7/h3-4,6-9,11H,5H2,1-2H3
InChIKeyQCLDIPBXDDNHPU-UHFFFAOYSA-N
XLogP0.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
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 6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol?
The IUPAC name of 6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol (CID 166882189) is 6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol.
What is the SMILES notation for 6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol?
The canonical SMILES for 6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol is CC1C2C=CC(O)C1N(C)C2.
What is the InChIKey of 6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol?
The InChIKey is QCLDIPBXDDNHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-7-3-4-8(11)9(6)10(2)5-7/h3-4,6-9,11H,5H2,1-2H3.
What are the key properties of 6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol?
6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol has a molecular weight of 153.22 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol is sourced from PubChem (CID 166882189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).