(6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol

C8H13NO — CID 118709209

IUPAC(6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol
SMILESO[C@H]1CC=C2CCN[C@H]2C1
InChIInChI=1S/C8H13NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1,7-10H,2-5H2/t7-,8-/m0/s1
InChIKeyQCYHIXPXLMQQAK-YUMQZZPRSA-N
MW139.20 g/mol
LogP0.43
Rot. Bonds

About (6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol

(6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol (PubChem CID 118709209) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol.

Molecular Properties

Compound Name(6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol
PubChem CID118709209
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol
SMILESO[C@H]1CC=C2CCN[C@H]2C1
InChIInChI=1S/C8H13NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1,7-10H,2-5H2/t7-,8-/m0/s1
InChIKeyQCYHIXPXLMQQAK-YUMQZZPRSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol?
The IUPAC name of (6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol (CID 118709209) is (6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol.
What is the SMILES notation for (6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol?
The canonical SMILES for (6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol is O[C@H]1CC=C2CCN[C@H]2C1.
What is the InChIKey of (6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol?
The InChIKey is QCYHIXPXLMQQAK-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H13NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1,7-10H,2-5H2/t7-,8-/m0/s1.
What are the key properties of (6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol?
(6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol has a molecular weight of 139.20 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7aS)-2,3,5,6,7,7a-hexahydro-1H-indol-6-ol is sourced from PubChem (CID 118709209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).