[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol

C9H17NO — CID 10975718

IUPAC[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol
SMILESOC[C@@H]1C[C@@H]2CCCC[C@@H]2N1
InChIInChI=1S/C9H17NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h7-11H,1-6H2/t7-,8-,9-/m0/s1
InChIKeyAMFOSVYIMMVTKU-CIUDSAMLSA-N
MW155.24 g/mol
LogP0.90
Rot. Bonds1

About [(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol

[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol (PubChem CID 10975718) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol
PubChem CID10975718
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol
SMILESOC[C@@H]1C[C@@H]2CCCC[C@@H]2N1
InChIInChI=1S/C9H17NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h7-11H,1-6H2/t7-,8-,9-/m0/s1
InChIKeyAMFOSVYIMMVTKU-CIUDSAMLSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol with MolForge

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Related Compounds

(3aS,6S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol
CID 69998117
{2-Azaspiro[4.5]decan-3-yl}methanol
CID 105434276
(4-Cyclohexylpyrrolidin-2-yl)methanol
CID 13648258
(2S-trans)-4-cyclohexyl-2-pyrrolidinemethanol
CID 13648259
2-Amino-3-cyclohexyl-1-pyrrolidin-2-ylpropan-1-ol
CID 19887784
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-ol
CID 20346892
(5-Ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride
CID 21100529
2-Hydroxy-octahydroindole
CID 53837178
Octahydro-1H-indol-6-ol
CID 57274850
[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol
CID 58907306
cyclohexyl-[(2S)-pyrrolidin-2-yl]methanol
CID 59894174
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethanol
CID 60202846

Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol?
The IUPAC name of [(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol (CID 10975718) is [(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol.
What is the SMILES notation for [(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol?
The canonical SMILES for [(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol is OC[C@@H]1C[C@@H]2CCCC[C@@H]2N1.
What is the InChIKey of [(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol?
The InChIKey is AMFOSVYIMMVTKU-CIUDSAMLSA-N. The full InChI is InChI=1S/C9H17NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h7-11H,1-6H2/t7-,8-,9-/m0/s1.
What are the key properties of [(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol?
[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanol is sourced from PubChem (CID 10975718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).