1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol

C10H17NO — CID 14408189

IUPAC1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol
SMILESCC(O)C1=CCCC2CCC1N2
InChIInChI=1S/C10H17NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,7-8,10-12H,2-3,5-6H2,1H3
InChIKeyKBGCKCURTWNTTN-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.21
Rot. Bonds1

About 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol

1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol (PubChem CID 14408189) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol.

Molecular Properties

Compound Name1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol
PubChem CID14408189
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol
SMILESCC(O)C1=CCCC2CCC1N2
InChIInChI=1S/C10H17NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,7-8,10-12H,2-3,5-6H2,1H3
InChIKeyKBGCKCURTWNTTN-UHFFFAOYSA-N
XLogP1.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol
CID 118709209
N-Methylanatoxin
CID 149072
3-[3-(Butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
CID 10330722
(E)-1-pyrrolidin-2-yloct-1-en-3-ol
CID 21516672
1-Pyrrolidin-2-yloct-1-en-3-ol
CID 53990541
[(4R)-4-(ethylamino)cyclohepten-1-yl]methanol
CID 166839766
(E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol
CID 170013186
[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol
CID 3037388
1-(1,2,3,5,6,8a-Hexahydroindolizin-8-yl)butan-1-ol
CID 12309416
(1S)-1-[(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]butan-1-ol
CID 12309417
1-(9-Methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol
CID 14408194
(1S)-1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanol
CID 101613763

Frequently Asked Questions

What is the IUPAC name of 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol?
The IUPAC name of 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol (CID 14408189) is 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol.
What is the SMILES notation for 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol?
The canonical SMILES for 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol is CC(O)C1=CCCC2CCC1N2.
What is the InChIKey of 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol?
The InChIKey is KBGCKCURTWNTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,7-8,10-12H,2-3,5-6H2,1H3.
What are the key properties of 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol?
1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol has a molecular weight of 167.25 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol is sourced from PubChem (CID 14408189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).