(1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol

C8H13NO — CID 14337387

IUPAC(1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol
SMILESCN1C[C@H]2C=C[C@@H]1[C@H](O)C2
InChIInChI=1S/C8H13NO/c1-9-5-6-2-3-7(9)8(10)4-6/h2-3,6-8,10H,4-5H2,1H3/t6-,7+,8+/m0/s1
InChIKeyTUIFSLZEXZMZPA-XLPZGREQSA-N
MW139.20 g/mol
LogP0.24
Rot. Bonds

About (1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol

(1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol (PubChem CID 14337387) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol.

Molecular Properties

Compound Name(1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol
PubChem CID14337387
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol
SMILESCN1C[C@H]2C=C[C@@H]1[C@H](O)C2
InChIInChI=1S/C8H13NO/c1-9-5-6-2-3-7(9)8(10)4-6/h2-3,6-8,10H,4-5H2,1H3/t6-,7+,8+/m0/s1
InChIKeyTUIFSLZEXZMZPA-XLPZGREQSA-N
XLogP0.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol?
The IUPAC name of (1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol (CID 14337387) is (1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol.
What is the SMILES notation for (1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol?
The canonical SMILES for (1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol is CN1C[C@H]2C=C[C@@H]1[C@H](O)C2.
What is the InChIKey of (1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol?
The InChIKey is TUIFSLZEXZMZPA-XLPZGREQSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-5-6-2-3-7(9)8(10)4-6/h2-3,6-8,10H,4-5H2,1H3/t6-,7+,8+/m0/s1.
What are the key properties of (1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol?
(1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol has a molecular weight of 139.20 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6R)-2-methyl-2-azabicyclo[2.2.2]oct-7-en-6-ol is sourced from PubChem (CID 14337387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).