1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol

C11H19NO — CID 130152430

IUPAC1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol
SMILESCC(O)C1=CCC2CCC1N(C)C2
InChIInChI=1S/C11H19NO/c1-8(13)10-5-3-9-4-6-11(10)12(2)7-9/h5,8-9,11,13H,3-4,6-7H2,1-2H3
InChIKeyXSGVKIWCQRYDRG-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds1

About 1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol

1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol (PubChem CID 130152430) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol.

Molecular Properties

Compound Name1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol
PubChem CID130152430
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol
SMILESCC(O)C1=CCC2CCC1N(C)C2
InChIInChI=1S/C11H19NO/c1-8(13)10-5-3-9-4-6-11(10)12(2)7-9/h5,8-9,11,13H,3-4,6-7H2,1-2H3
InChIKeyXSGVKIWCQRYDRG-UHFFFAOYSA-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'}

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Related Compounds

(2S,4S)-1,3,3-trimethyl-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]piperidin-4-ol
CID 10387953
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
4-[2-(Azepan-1-yl)propyl]cyclohex-2-en-1-ol
CID 163858386
3-(5-Methylpiperidin-2-yl)cyclohex-2-en-1-ol
CID 164752961
1-Methyl-1-azoniatricyclo[6.2.2.02,7]dodec-6-en-5-ol
CID 3420531
1-Cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol
CID 3771763
(E)-1-cyclohexyl-4-piperidin-1-ylbut-2-en-1-ol
CID 5918546
(2S,4S)-1,1,3,3-tetramethyl-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]piperidin-1-ium-4-ol
CID 10053782
2-methyl-3,4,6,7,8,8a-hexahydro-1H-isoquinolin-6-ol
CID 12228902
(2S,5S)-1-methyl-1-azoniatricyclo[6.2.2.02,7]dodec-6-en-5-ol
CID 92140717
(2R,5S)-1-methyl-1-azoniatricyclo[6.2.2.02,7]dodec-6-en-5-ol
CID 92140718

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol?
The IUPAC name of 1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol (CID 130152430) is 1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol.
What is the SMILES notation for 1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol?
The canonical SMILES for 1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol is CC(O)C1=CCC2CCC1N(C)C2.
What is the InChIKey of 1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol?
The InChIKey is XSGVKIWCQRYDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(13)10-5-3-9-4-6-11(10)12(2)7-9/h5,8-9,11,13H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol?
1-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-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-(6-methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol is sourced from PubChem (CID 130152430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).