8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride

C8H14ClNO — CID 10419695

IUPAC8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride
SMILESCN1C2C=CC1CC(O)C2.Cl
InChIInChI=1S/C8H13NO.ClH/c1-9-6-2-3-7(9)5-8(10)4-6;/h2-3,6-8,10H,4-5H2,1H3;1H
InChIKeyKQXIXVUWSVWODX-UHFFFAOYSA-N
MW175.66 g/mol
LogP0.80
Rot. Bonds

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

8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride (PubChem CID 10419695) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride.

Molecular Properties

Compound Name8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride
PubChem CID10419695
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride
SMILESCN1C2C=CC1CC(O)C2.Cl
InChIInChI=1S/C8H13NO.ClH/c1-9-6-2-3-7(9)5-8(10)4-6;/h2-3,6-8,10H,4-5H2,1H3;1H
InChIKeyKQXIXVUWSVWODX-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 50.80
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 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride?
The IUPAC name of 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride (CID 10419695) is 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride.
What is the SMILES notation for 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride?
The canonical SMILES for 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride is CN1C2C=CC1CC(O)C2.Cl.
What is the InChIKey of 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride?
The InChIKey is KQXIXVUWSVWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.ClH/c1-9-6-2-3-7(9)5-8(10)4-6;/h2-3,6-8,10H,4-5H2,1H3;1H.
What are the key properties of 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride?
8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol;hydrochloride is sourced from PubChem (CID 10419695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).