2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol

C8H15NO — CID 57274850

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol
SMILESOC1CCC2CCNC2C1
InChIInChI=1S/C8H15NO/c10-7-2-1-6-3-4-9-8(6)5-7/h6-10H,1-5H2
InChIKeyWPMCENBDLQRRNM-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.51
Rot. Bonds

About 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol

2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol (PubChem CID 57274850) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol
PubChem CID57274850
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol
SMILESOC1CCC2CCNC2C1
InChIInChI=1S/C8H15NO/c10-7-2-1-6-3-4-9-8(6)5-7/h6-10H,1-5H2
InChIKeyWPMCENBDLQRRNM-UHFFFAOYSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS,6S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol
CID 69998117
(3aS,6S,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol
CID 118709201
[(2S,3AS,7aS)-octahydro-1H-indol-2-yl]methanol
CID 10975718
2-Hydroxy-6-hydroxyoctahydroindole
CID 129737337
5-fluoro-6-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 178858924
6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-ol
CID 178869160
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-ol
CID 20346892
6-Methoxy-octahydro-1h-indole
CID 44558435
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethanol
CID 60202846
(3aS,6R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol
CID 69997138
1-Methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol
CID 82651881
octahydro-1H-indol-3-ol
CID 83913983

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol (CID 57274850) is 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol is OC1CCC2CCNC2C1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol?
The InChIKey is WPMCENBDLQRRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c10-7-2-1-6-3-4-9-8(6)5-7/h6-10H,1-5H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol?
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol has a molecular weight of 141.21 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-ol is sourced from PubChem (CID 57274850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).