[(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol

C11H19NO — CID 124842135

IUPAC[(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol
SMILESOC[C@H]1CC[C@H]2C[C@H]3CCCN2[C@H]31
InChIInChI=1S/C11H19NO/c13-7-9-3-4-10-6-8-2-1-5-12(10)11(8)9/h8-11,13H,1-7H2/t8-,9-,10+,11-/m1/s1
InChIKeyBQRZIFSWIOUMIX-CHWFTXMASA-N
MW181.28 g/mol
LogP1.24
Rot. Bonds1

About [(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol

[(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol (PubChem CID 124842135) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is [(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol.

Molecular Properties

Compound Name[(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol
PubChem CID124842135
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name[(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol
SMILESOC[C@H]1CC[C@H]2C[C@H]3CCCN2[C@H]31
InChIInChI=1S/C11H19NO/c13-7-9-3-4-10-6-8-2-1-5-12(10)11(8)9/h8-11,13H,1-7H2/t8-,9-,10+,11-/m1/s1
InChIKeyBQRZIFSWIOUMIX-CHWFTXMASA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid
CID 129413509
[(3R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methanol
CID 169000645
2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
CID 57050908
[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
CID 130977937
[(2R,3R)-1,2-dicyclopropylazepan-3-yl]methanamine
CID 96615677
3-(2-cyclopentylpyrrolidin-1-yl)cyclopentan-1-ol
CID 79644193
[(1S,5R,6R)-6-bicyclo[3.2.1]octanyl]methanol
CID 131199969
(1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 102464087
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol
CID 78409508
(3aS,4aR,6R,8aS)-2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole-6-carboxylic acid
CID 97036329
(5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)methanol
CID 14265397

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol?
The IUPAC name of [(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol (CID 124842135) is [(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol.
What is the SMILES notation for [(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol?
The canonical SMILES for [(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol is OC[C@H]1CC[C@H]2C[C@H]3CCCN2[C@H]31.
What is the InChIKey of [(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol?
The InChIKey is BQRZIFSWIOUMIX-CHWFTXMASA-N. The full InChI is InChI=1S/C11H19NO/c13-7-9-3-4-10-6-8-2-1-5-12(10)11(8)9/h8-11,13H,1-7H2/t8-,9-,10+,11-/m1/s1.
What are the key properties of [(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol?
[(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol has a molecular weight of 181.28 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol is sourced from PubChem (CID 124842135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).