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

C8H13NO — CID 174792221

IUPAC2,3,3a,4,5,6-hexahydro-1H-indol-3-ol
SMILESOC1CNC2=CCCCC21
InChIInChI=1S/C8H13NO/c10-8-5-9-7-4-2-1-3-6(7)8/h4,6,8-10H,1-3,5H2
InChIKeyBKQNKSIFYNCFGO-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.63
Rot. Bonds

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

2,3,3a,4,5,6-hexahydro-1H-indol-3-ol (PubChem CID 174792221) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2,3,3a,4,5,6-hexahydro-1H-indol-3-ol.

Molecular Properties

Compound Name2,3,3a,4,5,6-hexahydro-1H-indol-3-ol
PubChem CID174792221
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2,3,3a,4,5,6-hexahydro-1H-indol-3-ol
SMILESOC1CNC2=CCCCC21
InChIInChI=1S/C8H13NO/c10-8-5-9-7-4-2-1-3-6(7)8/h4,6,8-10H,1-3,5H2
InChIKeyBKQNKSIFYNCFGO-UHFFFAOYSA-N
XLogP0.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6-hexahydro-1H-indol-3-ol?
The IUPAC name of 2,3,3a,4,5,6-hexahydro-1H-indol-3-ol (CID 174792221) is 2,3,3a,4,5,6-hexahydro-1H-indol-3-ol.
What is the SMILES notation for 2,3,3a,4,5,6-hexahydro-1H-indol-3-ol?
The canonical SMILES for 2,3,3a,4,5,6-hexahydro-1H-indol-3-ol is OC1CNC2=CCCCC21.
What is the InChIKey of 2,3,3a,4,5,6-hexahydro-1H-indol-3-ol?
The InChIKey is BKQNKSIFYNCFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-8-5-9-7-4-2-1-3-6(7)8/h4,6,8-10H,1-3,5H2.
What are the key properties of 2,3,3a,4,5,6-hexahydro-1H-indol-3-ol?
2,3,3a,4,5,6-hexahydro-1H-indol-3-ol has a molecular weight of 139.20 g/mol, XLogP of 0.63, 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-hexahydro-1H-indol-3-ol is sourced from PubChem (CID 174792221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).