(8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one

C11H15NO — CID 134960309

IUPAC(8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one
SMILESC[C@@H]1c2cccc(=O)n2CC[C@@H]1C
InChIInChI=1S/C11H15NO/c1-8-6-7-12-10(9(8)2)4-3-5-11(12)13/h3-5,8-9H,6-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyJUSWGKMKWLBMHC-IUCAKERBSA-N
MW177.25 g/mol
LogP1.99
Rot. Bonds

About (8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one

(8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 134960309) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name(8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID134960309
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one
SMILESC[C@@H]1c2cccc(=O)n2CC[C@@H]1C
InChIInChI=1S/C11H15NO/c1-8-6-7-12-10(9(8)2)4-3-5-11(12)13/h3-5,8-9H,6-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyJUSWGKMKWLBMHC-IUCAKERBSA-N
XLogP1.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one 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 (8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of (8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one (CID 134960309) is (8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for (8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for (8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one is C[C@@H]1c2cccc(=O)n2CC[C@@H]1C.
What is the InChIKey of (8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is JUSWGKMKWLBMHC-IUCAKERBSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-7-12-10(9(8)2)4-3-5-11(12)13/h3-5,8-9H,6-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one?
(8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 177.25 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S)-8,9-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 134960309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).