1,2,3,4-tetrahydroindol-3a-ol

C8H11NO — CID 67667879

IUPAC1,2,3,4-tetrahydroindol-3a-ol
SMILESOC12CC=CC=C1NCC2
InChIInChI=1S/C8H11NO/c10-8-4-2-1-3-7(8)9-6-5-8/h1-3,9-10H,4-6H2
InChIKeyQVLAJXFKFSBUKK-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.55
Rot. Bonds

About 1,2,3,4-tetrahydroindol-3a-ol

1,2,3,4-tetrahydroindol-3a-ol (PubChem CID 67667879) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroindol-3a-ol.

Molecular Properties

Compound Name1,2,3,4-tetrahydroindol-3a-ol
PubChem CID67667879
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1,2,3,4-tetrahydroindol-3a-ol
SMILESOC12CC=CC=C1NCC2
InChIInChI=1S/C8H11NO/c10-8-4-2-1-3-7(8)9-6-5-8/h1-3,9-10H,4-6H2
InChIKeyQVLAJXFKFSBUKK-UHFFFAOYSA-N
XLogP0.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroindol-3a-ol?
The IUPAC name of 1,2,3,4-tetrahydroindol-3a-ol (CID 67667879) is 1,2,3,4-tetrahydroindol-3a-ol.
What is the SMILES notation for 1,2,3,4-tetrahydroindol-3a-ol?
The canonical SMILES for 1,2,3,4-tetrahydroindol-3a-ol is OC12CC=CC=C1NCC2.
What is the InChIKey of 1,2,3,4-tetrahydroindol-3a-ol?
The InChIKey is QVLAJXFKFSBUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c10-8-4-2-1-3-7(8)9-6-5-8/h1-3,9-10H,4-6H2.
What are the key properties of 1,2,3,4-tetrahydroindol-3a-ol?
1,2,3,4-tetrahydroindol-3a-ol has a molecular weight of 137.18 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroindol-3a-ol is sourced from PubChem (CID 67667879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).