1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol

C9H15NO — CID 141412740

IUPAC1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol
SMILESOC1CCNC2=CCCCC21
InChIInChI=1S/C9H15NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h4,7,9-11H,1-3,5-6H2
InChIKeyXHKQKRQJQPIYLW-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.02
Rot. Bonds

About 1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol

1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol (PubChem CID 141412740) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol
PubChem CID141412740
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol
SMILESOC1CCNC2=CCCCC21
InChIInChI=1S/C9H15NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h4,7,9-11H,1-3,5-6H2
InChIKeyXHKQKRQJQPIYLW-UHFFFAOYSA-N
XLogP1.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

9-Amino-1,2,3,5,6,6a,10a,10b-octahydrophenanthridin-1-ol
CID 20523616
1,2,3,4,4a,5,8,8a-Octahydroquinolin-8-ylmethanol
CID 68213276
1,2,3,4,4a,5,6,7-Octahydroisoquinolin-6-ol
CID 68831478
(2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol
CID 69387925
1-prop-2-enyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol
CID 70454319
1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol
CID 70511146
1,2,3,4,4a,5,6,7-Octahydroquinolin-6-ol
CID 70533405
1-propyl-3,4,4a,5,6,7-hexahydro-2H-quinolin-6-ol
CID 70556447
2,3,3a,4,5,6-hexahydro-1H-indol-3-ol
CID 174792221
2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol
CID 174971505
(3R,4S)-3-(cyclohepten-1-yl)piperidin-4-ol
CID 11499375
(3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol
CID 11708221

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol?
The IUPAC name of 1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol (CID 141412740) is 1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol.
What is the SMILES notation for 1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol?
The canonical SMILES for 1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol is OC1CCNC2=CCCCC21.
What is the InChIKey of 1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol?
The InChIKey is XHKQKRQJQPIYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h4,7,9-11H,1-3,5-6H2.
What are the key properties of 1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol?
1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol has a molecular weight of 153.23 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7-octahydroquinolin-4-ol is sourced from PubChem (CID 141412740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).