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

C11H19NO — CID 14408194

IUPAC1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol
SMILESCC(O)C1=CCCC2CCC1N2C
InChIInChI=1S/C11H19NO/c1-8(13)10-5-3-4-9-6-7-11(10)12(9)2/h5,8-9,11,13H,3-4,6-7H2,1-2H3
InChIKeyYEOXHVHNLQOGKF-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds1

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

1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol (PubChem CID 14408194) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol.

Molecular Properties

Compound Name1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol
PubChem CID14408194
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol
SMILESCC(O)C1=CCCC2CCC1N2C
InChIInChI=1S/C11H19NO/c1-8(13)10-5-3-4-9-6-7-11(10)12(9)2/h5,8-9,11,13H,3-4,6-7H2,1-2H3
InChIKeyYEOXHVHNLQOGKF-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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

(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizine-7-methanol
CID 164663
5,6,7,8-Tetrahydro-3H-pyrrolizin-1-ylmethanol
CID 186156
(6S,7aS)-1-methyl-2,3,5,6,7,7a-hexahydroindol-6-ol
CID 118709205
N-Methylanatoxin
CID 149072
7-(hydroxymethyl)-4-propyl-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol
CID 427386
7-(hydroxymethyl)-4-propyl-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol bromide
CID 24196149
4-ethyl-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol bromide
CID 24196317
(1R,8R)-7-(hydroxymethyl)-4-methyl-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol
CID 21586628
(4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol
CID 138512928
3-(9-Propan-2-yl-9-azabicyclo[4.2.1]non-3-en-3-yl)propan-1-ol
CID 170278572
4-ethyl-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol
CID 427636
[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol
CID 3037388

Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol?
The IUPAC name of 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol (CID 14408194) is 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol.
What is the SMILES notation for 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol?
The canonical SMILES for 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol is CC(O)C1=CCCC2CCC1N2C.
What is the InChIKey of 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol?
The InChIKey is YEOXHVHNLQOGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(13)10-5-3-4-9-6-7-11(10)12(9)2/h5,8-9,11,13H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol?
1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol has a molecular weight of 181.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol is sourced from PubChem (CID 14408194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).