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

C9H17NO — CID 58907306

IUPAC[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol
SMILESOC[C@H]1NCC2CCCCC21
InChIInChI=1S/C9H17NO/c11-6-9-8-4-2-1-3-7(8)5-10-9/h7-11H,1-6H2/t7?,8?,9-/m1/s1
InChIKeyYZZOTWOASDQQCW-AMDVSUOASA-N
MW155.24 g/mol
LogP0.76
Rot. Bonds1

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

[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol (PubChem CID 58907306) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol
PubChem CID58907306
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol
SMILESOC[C@H]1NCC2CCCCC21
InChIInChI=1S/C9H17NO/c11-6-9-8-4-2-1-3-7(8)5-10-9/h7-11H,1-6H2/t7?,8?,9-/m1/s1
InChIKeyYZZOTWOASDQQCW-AMDVSUOASA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{2-Azaspiro[4.5]decan-3-yl}methanol
CID 105434276
[(2S,3AS,7aS)-octahydro-1H-indol-2-yl]methanol
CID 10975718
[(1S,3aS,7aS)-2,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium-1-yl]methanol iodide
CID 139190454
2-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol
CID 178856821
(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)methanol
CID 178864850
(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-isoindol-1-ol
CID 23087026
[(3aR,7aR)-octahydro-1H-isoindol-3a-yl]methanol
CID 45934299
2-Hydroxy-octahydroindole
CID 53837178
cyclohexyl-[(2S)-pyrrolidin-2-yl]methanol
CID 59894174

Frequently Asked Questions

What is the IUPAC name of [(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol?
The IUPAC name of [(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol (CID 58907306) is [(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol.
What is the SMILES notation for [(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol?
The canonical SMILES for [(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol is OC[C@H]1NCC2CCCCC21.
What is the InChIKey of [(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol?
The InChIKey is YZZOTWOASDQQCW-AMDVSUOASA-N. The full InChI is InChI=1S/C9H17NO/c11-6-9-8-4-2-1-3-7(8)5-10-9/h7-11H,1-6H2/t7?,8?,9-/m1/s1.
What are the key properties of [(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol?
[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol is sourced from PubChem (CID 58907306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).