(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol

C9H17NO — CID 22820323

IUPAC(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
SMILESO[C@H]1CCNC2CCCC[C@H]21
InChIInChI=1S/C9H17NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h7-11H,1-6H2/t7-,8?,9+/m1/s1
InChIKeyMLQARXBFLAEGNM-NBXIYJJMSA-N
MW155.24 g/mol
LogP0.90
Rot. Bonds

About (4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol

(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol (PubChem CID 22820323) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol.

Molecular Properties

Compound Name(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
PubChem CID22820323
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
SMILESO[C@H]1CCNC2CCCC[C@H]21
InChIInChI=1S/C9H17NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h7-11H,1-6H2/t7-,8?,9+/m1/s1
InChIKeyMLQARXBFLAEGNM-NBXIYJJMSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-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

Frequently Asked Questions

What is the IUPAC name of (4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
The IUPAC name of (4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol (CID 22820323) is (4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol.
What is the SMILES notation for (4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
The canonical SMILES for (4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol is O[C@H]1CCNC2CCCC[C@H]21.
What is the InChIKey of (4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
The InChIKey is MLQARXBFLAEGNM-NBXIYJJMSA-N. The full InChI is InChI=1S/C9H17NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h7-11H,1-6H2/t7-,8?,9+/m1/s1.
What are the key properties of (4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol?
(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol has a molecular weight of 155.24 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol is sourced from PubChem (CID 22820323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).