1,2,3,4,8,8a-hexahydroquinolin-8-ol

C9H13NO — CID 67297178

IUPAC1,2,3,4,8,8a-hexahydroquinolin-8-ol
SMILESOC1C=CC=C2CCCNC21
InChIInChI=1S/C9H13NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,8-11H,2,4,6H2
InChIKeyABGQDTUBKXZELT-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.60
Rot. Bonds

About 1,2,3,4,8,8a-hexahydroquinolin-8-ol

1,2,3,4,8,8a-hexahydroquinolin-8-ol (PubChem CID 67297178) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,2,3,4,8,8a-hexahydroquinolin-8-ol.

Molecular Properties

Compound Name1,2,3,4,8,8a-hexahydroquinolin-8-ol
PubChem CID67297178
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1,2,3,4,8,8a-hexahydroquinolin-8-ol
SMILESOC1C=CC=C2CCCNC21
InChIInChI=1S/C9H13NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,8-11H,2,4,6H2
InChIKeyABGQDTUBKXZELT-UHFFFAOYSA-N
XLogP0.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,8,8a-hexahydroquinolin-8-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 1,2,3,4,8,8a-hexahydroquinolin-8-ol?
The IUPAC name of 1,2,3,4,8,8a-hexahydroquinolin-8-ol (CID 67297178) is 1,2,3,4,8,8a-hexahydroquinolin-8-ol.
What is the SMILES notation for 1,2,3,4,8,8a-hexahydroquinolin-8-ol?
The canonical SMILES for 1,2,3,4,8,8a-hexahydroquinolin-8-ol is OC1C=CC=C2CCCNC21.
What is the InChIKey of 1,2,3,4,8,8a-hexahydroquinolin-8-ol?
The InChIKey is ABGQDTUBKXZELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,8-11H,2,4,6H2.
What are the key properties of 1,2,3,4,8,8a-hexahydroquinolin-8-ol?
1,2,3,4,8,8a-hexahydroquinolin-8-ol has a molecular weight of 151.21 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,8,8a-hexahydroquinolin-8-ol is sourced from PubChem (CID 67297178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).