[(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol

C9H17NO — CID 146186420

IUPAC[(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol
SMILESOC[C@]12CCCCC1CNC2
InChIInChI=1S/C9H17NO/c11-7-9-4-2-1-3-8(9)5-10-6-9/h8,10-11H,1-7H2/t8?,9-/m1/s1
InChIKeyHKTBIXJIDRLJOD-YGPZHTELSA-N
MW155.24 g/mol
LogP0.76
Rot. Bonds1

About [(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol

[(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol (PubChem CID 146186420) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol.

Molecular Properties

Compound Name[(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol
PubChem CID146186420
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol
SMILESOC[C@]12CCCCC1CNC2
InChIInChI=1S/C9H17NO/c11-7-9-4-2-1-3-8(9)5-10-6-9/h8,10-11H,1-7H2/t8?,9-/m1/s1
InChIKeyHKTBIXJIDRLJOD-YGPZHTELSA-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

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Frequently Asked Questions

What is the IUPAC name of [(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol?
The IUPAC name of [(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol (CID 146186420) is [(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol.
What is the SMILES notation for [(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol?
The canonical SMILES for [(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol is OC[C@]12CCCCC1CNC2.
What is the InChIKey of [(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol?
The InChIKey is HKTBIXJIDRLJOD-YGPZHTELSA-N. The full InChI is InChI=1S/C9H17NO/c11-7-9-4-2-1-3-8(9)5-10-6-9/h8,10-11H,1-7H2/t8?,9-/m1/s1.
What are the key properties of [(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol?
[(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-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 [(3aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol is sourced from PubChem (CID 146186420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).