(1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol

C8H13NO — CID 14403146

IUPAC(1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
SMILESCN1[C@@H]2C=C[C@@H]1CC(O)C2
InChIInChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h2-3,6-8,10H,4-5H2,1H3/t6-,7-/m1/s1
InChIKeyGXSKBBRWKUAYEJ-RNFRBKRXSA-N
MW139.20 g/mol
LogP0.38
Rot. Bonds

About (1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol

(1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol (PubChem CID 14403146) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol.

Molecular Properties

Compound Name(1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
PubChem CID14403146
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
SMILESCN1[C@@H]2C=C[C@@H]1CC(O)C2
InChIInChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h2-3,6-8,10H,4-5H2,1H3/t6-,7-/m1/s1
InChIKeyGXSKBBRWKUAYEJ-RNFRBKRXSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride
CID 10419695
cis-(1R,2S)-cyclopentane-1,2,4-triol
CID 11073392
methyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 130832763
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 91885346
(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid
CID 131843670
9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol
CID 12068821
(1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol
CID 130991403
cyclobutane-1,3-diol
CID 175518786
(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol
CID 10855621
6,7-dimethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 45096733
(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 147950414

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol?
The IUPAC name of (1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol (CID 14403146) is (1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol.
What is the SMILES notation for (1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol?
The canonical SMILES for (1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol is CN1[C@@H]2C=C[C@@H]1CC(O)C2.
What is the InChIKey of (1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol?
The InChIKey is GXSKBBRWKUAYEJ-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h2-3,6-8,10H,4-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol?
(1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol has a molecular weight of 139.20 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol is sourced from PubChem (CID 14403146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).