1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol

C11H19NO — CID 131020372

IUPAC1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol
SMILESCC(O)C1=CC[C@H]2CC[C@@H]1CN2C
InChIInChI=1S/C11H19NO/c1-8(13)11-6-5-10-4-3-9(11)7-12(10)2/h6,8-10,13H,3-5,7H2,1-2H3/t8?,9-,10-/m1/s1
InChIKeyVUUCHKMCHYAFOV-VXRWAFEHSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds1

About 1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol

1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol (PubChem CID 131020372) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol.

Molecular Properties

Compound Name1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol
PubChem CID131020372
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol
SMILESCC(O)C1=CC[C@H]2CC[C@@H]1CN2C
InChIInChI=1S/C11H19NO/c1-8(13)11-6-5-10-4-3-9(11)7-12(10)2/h6,8-10,13H,3-5,7H2,1-2H3/t8?,9-,10-/m1/s1
InChIKeyVUUCHKMCHYAFOV-VXRWAFEHSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol with MolForge

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Related Compounds

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2-(1,2,3,4,5,8-Hexahydro-3-hydroxynaphthalenyl)-1-methylpiperidine
CID 20387378
3-[(1-Methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 20387389
(2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 54180290
2-(1-Hydroxy-1-propyl)-(6-methyl-6-azabicyclo[3.2.2]non-2-ene)
CID 67020382
3-(6-Methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol
CID 69286796
(2R,3S)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 70606607
2,3,6-trimethyl-2,4,5,6,6a,7,8,10a-octahydro-1H-3-benzazocin-8-ol
CID 141767092
(4-Methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol
CID 163485702
4-[2-(Azepan-1-yl)propyl]cyclohex-2-en-1-ol
CID 163858386
1-Methyl-1-azoniatricyclo[6.2.2.02,7]dodec-6-en-5-ol
CID 3420531
2-methyl-3,4,6,7,8,8a-hexahydro-1H-isoquinolin-6-ol
CID 12228902

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol?
The IUPAC name of 1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol (CID 131020372) is 1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol.
What is the SMILES notation for 1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol?
The canonical SMILES for 1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol is CC(O)C1=CC[C@H]2CC[C@@H]1CN2C.
What is the InChIKey of 1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol?
The InChIKey is VUUCHKMCHYAFOV-VXRWAFEHSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(13)11-6-5-10-4-3-9(11)7-12(10)2/h6,8-10,13H,3-5,7H2,1-2H3/t8?,9-,10-/m1/s1.
What are the key properties of 1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol?
1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol has a molecular weight of 181.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol is sourced from PubChem (CID 131020372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).