(1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol

C11H19NO — CID 102084980

IUPAC(1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCC[C@]12CC=CCN2
InChIInChI=1S/C11H19NO/c1-9(13)10-5-4-7-11(10)6-2-3-8-12-11/h2-3,9-10,12-13H,4-8H2,1H3/t9-,10-,11-/m1/s1
InChIKeyKIOAUBMXLFIWPY-GMTAPVOTSA-N
MW181.28 g/mol
LogP1.46
Rot. Bonds1

About (1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol

(1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol (PubChem CID 102084980) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol
PubChem CID102084980
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCC[C@]12CC=CCN2
InChIInChI=1S/C11H19NO/c1-9(13)10-5-4-7-11(10)6-2-3-8-12-11/h2-3,9-10,12-13H,4-8H2,1H3/t9-,10-,11-/m1/s1
InChIKeyKIOAUBMXLFIWPY-GMTAPVOTSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.46
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

2-Hexadecylamino-2-hydroxymethylnorbornene
CID 131822
1-[(1R)-cyclohex-2-en-1-yl]-3-(methylamino)propan-1-ol
CID 141795329
[(1S,2S,4S)-2-(hexadecylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 14827992
CID 14827993
CID 14827993
[(1R,2R,4R)-2-(2-methylpropylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 15173138
[(1R,2R,4R)-2-(prop-2-enylamino)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 15173139
4-[1-(2-Bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol
CID 64912181
2-[[1-(2-Bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol
CID 64926933
4-[({Bicyclo[2.2.1]hept-5-en-2-yl}methyl)amino]butan-2-ol
CID 64927732
2-[(2-Bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol
CID 64929984
2-[(Cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol
CID 65832780
2-[[1-(2-Bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol
CID 65835424

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol?
The IUPAC name of (1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol (CID 102084980) is (1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol?
The canonical SMILES for (1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol is C[C@@H](O)[C@H]1CCC[C@]12CC=CCN2.
What is the InChIKey of (1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol?
The InChIKey is KIOAUBMXLFIWPY-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(13)10-5-4-7-11(10)6-2-3-8-12-11/h2-3,9-10,12-13H,4-8H2,1H3/t9-,10-,11-/m1/s1.
What are the key properties of (1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol?
(1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol has a molecular weight of 181.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol is sourced from PubChem (CID 102084980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).