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

C8H13NO — CID 564940

IUPAC8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
SMILESCN1C2C=CC1CC(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
InChIKeyGXSKBBRWKUAYEJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.38
Rot. Bonds

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

8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol (PubChem CID 564940) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol.

Molecular Properties

Compound Name8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
PubChem CID564940
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
SMILESCN1C2C=CC1CC(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
InChIKeyGXSKBBRWKUAYEJ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol?
The IUPAC name of 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol (CID 564940) is 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol.
What is the SMILES notation for 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol?
The canonical SMILES for 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol is CN1C2C=CC1CC(O)C2.
What is the InChIKey of 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol?
The InChIKey is GXSKBBRWKUAYEJ-UHFFFAOYSA-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.
What are the key properties of 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol?
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 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol is sourced from PubChem (CID 564940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).