1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol

C10H17NO — CID 130124446

IUPAC1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol
SMILESCC(O)C1C2C=CC(CC2)N1C
InChIInChI=1S/C10H17NO/c1-7(12)10-8-3-5-9(6-4-8)11(10)2/h3,5,7-10,12H,4,6H2,1-2H3
InChIKeyKAMMXHJAMNAWFE-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.02
Rot. Bonds1

About 1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol

1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol (PubChem CID 130124446) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol
PubChem CID130124446
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol
SMILESCC(O)C1C2C=CC(CC2)N1C
InChIInChI=1S/C10H17NO/c1-7(12)10-8-3-5-9(6-4-8)11(10)2/h3,5,7-10,12H,4,6H2,1-2H3
InChIKeyKAMMXHJAMNAWFE-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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

(1R,2S,3S,10Z,16R,22E,27S)-5,18-diazapentacyclo[12.12.1.11,5.02,16.018,27]octacosa-10,14,22-trien-3-ol
CID 101185845
2-(1-Cyclohex-2-en-1-ylpiperidin-3-yl)ethanol
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(2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 135075681
(1R,3R,10Z,23Z,27R)-5,18-diazapentacyclo[12.12.1.11,5.02,16.018,27]octacosa-10,14,23-trien-3-ol
CID 155931158
2-(1,2,3,4,5,8-Hexahydro-3-hydroxynaphthalenyl)-1-methylpiperidine
CID 20387378
2-[2-(1,2,3,4,5,8-Hexahydro-3-hydroxynaphthalenyl)ethyl]-1-methylpiperidine
CID 20387388
3-[(1-Methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 20387389
3-Piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 21316451
(1S,2R,3R,10Z,16S,23Z,27R)-5,18-diazapentacyclo[12.12.1.11,5.02,16.018,27]octacosa-10,14,23-trien-3-ol
CID 21729212
(2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 54095593
(2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 54180290
3,5,5a,8,9,9a,10,10a-Octahydropyrrolo[1,2-b]isoquinolin-10-ol
CID 70207323

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol?
The IUPAC name of 1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol (CID 130124446) is 1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol.
What is the SMILES notation for 1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol?
The canonical SMILES for 1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol is CC(O)C1C2C=CC(CC2)N1C.
What is the InChIKey of 1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol?
The InChIKey is KAMMXHJAMNAWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(12)10-8-3-5-9(6-4-8)11(10)2/h3,5,7-10,12H,4,6H2,1-2H3.
What are the key properties of 1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol?
1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol has a molecular weight of 167.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)ethanol is sourced from PubChem (CID 130124446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).