3-methyl-3-azabicyclo[5.1.0]octan-7-ol

C8H15NO — CID 122596287

IUPAC3-methyl-3-azabicyclo[5.1.0]octan-7-ol
SMILESCN1CCCC2(O)CC2C1
InChIInChI=1S/C8H15NO/c1-9-4-2-3-8(10)5-7(8)6-9/h7,10H,2-6H2,1H3
InChIKeyBILBLNULYAYLOV-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.46
Rot. Bonds

About 3-methyl-3-azabicyclo[5.1.0]octan-7-ol

3-methyl-3-azabicyclo[5.1.0]octan-7-ol (PubChem CID 122596287) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-methyl-3-azabicyclo[5.1.0]octan-7-ol.

Molecular Properties

Compound Name3-methyl-3-azabicyclo[5.1.0]octan-7-ol
PubChem CID122596287
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-methyl-3-azabicyclo[5.1.0]octan-7-ol
SMILESCN1CCCC2(O)CC2C1
InChIInChI=1S/C8H15NO/c1-9-4-2-3-8(10)5-7(8)6-9/h7,10H,2-6H2,1H3
InChIKeyBILBLNULYAYLOV-UHFFFAOYSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,3,4-trimethylazepane
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4-cycloheptyl-1-methylpiperidin-4-ol
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(2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 101060141
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
(4R)-N,6-dimethyl-6-azaspiro[2.6]nonan-4-amine
CID 155352601
(8S)-6,8-dimethyl-6-azaspiro[2.6]nonane
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(3S)-3-ethyl-1-methylpiperidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azabicyclo[5.1.0]octan-7-ol?
The IUPAC name of 3-methyl-3-azabicyclo[5.1.0]octan-7-ol (CID 122596287) is 3-methyl-3-azabicyclo[5.1.0]octan-7-ol.
What is the SMILES notation for 3-methyl-3-azabicyclo[5.1.0]octan-7-ol?
The canonical SMILES for 3-methyl-3-azabicyclo[5.1.0]octan-7-ol is CN1CCCC2(O)CC2C1.
What is the InChIKey of 3-methyl-3-azabicyclo[5.1.0]octan-7-ol?
The InChIKey is BILBLNULYAYLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-4-2-3-8(10)5-7(8)6-9/h7,10H,2-6H2,1H3.
What are the key properties of 3-methyl-3-azabicyclo[5.1.0]octan-7-ol?
3-methyl-3-azabicyclo[5.1.0]octan-7-ol has a molecular weight of 141.21 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azabicyclo[5.1.0]octan-7-ol is sourced from PubChem (CID 122596287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).