2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol

C10H17NO — CID 11084268

IUPAC2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol
SMILESCN1[C@@H]2CC[C@H]1C/C(=C\CO)C2
InChIInChI=1S/C10H17NO/c1-11-9-2-3-10(11)7-8(6-9)4-5-12/h4,9-10,12H,2-3,5-7H2,1H3/b8-4-/t9-,10+/m1/s1
InChIKeyJSWVKBZMDMJAQN-LTAOASPFSA-N
MW167.25 g/mol
LogP1.16
Rot. Bonds1

About 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol

2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol (PubChem CID 11084268) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol.

Molecular Properties

Compound Name2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol
PubChem CID11084268
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol
SMILESCN1[C@@H]2CC[C@H]1C/C(=C\CO)C2
InChIInChI=1S/C10H17NO/c1-11-9-2-3-10(11)7-8(6-9)4-5-12/h4,9-10,12H,2-3,5-7H2,1H3/b8-4-/t9-,10+/m1/s1
InChIKeyJSWVKBZMDMJAQN-LTAOASPFSA-N
XLogP1.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol with MolForge

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Related Compounds

3-(2-Ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane
CID 123344165
(2E)-2-(1,2-dimethylpiperidin-4-ylidene)ethanol
CID 132157774
2-[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]ethanol
CID 24801545
2-(8-Methyl-8-azabicyclo[3.2.1]octan-3-ylidene)ethanol
CID 85393217
(1Z)-1-(1,2-dimethylpiperidin-4-ylidene)propan-2-ol
CID 103971047
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-ylidene)propan-2-ol
CID 103971088
(1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol
CID 103971426
(1Z)-1-(2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ylidene)propan-2-ol
CID 103971446
(Z)-4-(1-methylpyrrolidin-2-yl)but-2-en-1-ol
CID 117266021
(Z)-4-(1-ethylpyrrolidin-2-yl)but-2-en-1-ol
CID 117266022
(Z)-4-(1-propan-2-ylpyrrolidin-2-yl)but-2-en-1-ol
CID 117266023
(Z)-4-(1-methylpiperidin-2-yl)but-2-en-1-ol
CID 117266027

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol?
The IUPAC name of 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol (CID 11084268) is 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol.
What is the SMILES notation for 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol?
The canonical SMILES for 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol is CN1[C@@H]2CC[C@H]1C/C(=C\CO)C2.
What is the InChIKey of 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol?
The InChIKey is JSWVKBZMDMJAQN-LTAOASPFSA-N. The full InChI is InChI=1S/C10H17NO/c1-11-9-2-3-10(11)7-8(6-9)4-5-12/h4,9-10,12H,2-3,5-7H2,1H3/b8-4-/t9-,10+/m1/s1.
What are the key properties of 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol?
2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol has a molecular weight of 167.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol is sourced from PubChem (CID 11084268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).