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

C11H15NO — CID 58845431

IUPAC(6S,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one
SMILESC[C@H]1CCc2cccc(=O)n2[C@H]1C
InChIInChI=1S/C11H15NO/c1-8-6-7-10-4-3-5-11(13)12(10)9(8)2/h3-5,8-9H,6-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyCLFZSINKSHEGGA-IUCAKERBSA-N
MW177.25 g/mol
LogP1.99
Rot. Bonds

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

(6S,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 58845431) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (6S,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name(6S,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID58845431
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(6S,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one
SMILESC[C@H]1CCc2cccc(=O)n2[C@H]1C
InChIInChI=1S/C11H15NO/c1-8-6-7-10-4-3-5-11(13)12(10)9(8)2/h3-5,8-9H,6-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyCLFZSINKSHEGGA-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 (6S,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one with MolForge

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Related Compounds

1,5-Methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-methyl-4-(2-propenyl)-
CID 157031
(1R,9R,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 102247462
Tinctorine
CID 442968
(1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 162959883
6,7,8,9-Tetrahydroquinolizin-4-one
CID 13616826
(6R,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one
CID 58622703
n-Acetyltetrahydroquinoline
CID 69159448
9-Methyl-6,7,8,9-tetrahydroquinolizin-4-one
CID 102163877
(9S)-9-methyl-6,7,8,9-tetrahydroquinolizin-4-one
CID 125482296
6-Methyl-6,7,8,9-tetrahydroquinolizin-4-one
CID 132967691
(9S)-1-fluoro-9-propan-2-yl-6,7,8,9-tetrahydroquinolizin-4-one
CID 178673738
(9R)-9-ethyl-1-fluoro-6,7,8,9-tetrahydroquinolizin-4-one
CID 178674293

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of (6S,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one (CID 58845431) is (6S,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for (6S,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for (6S,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one is C[C@H]1CCc2cccc(=O)n2[C@H]1C.
What is the InChIKey of (6S,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is CLFZSINKSHEGGA-IUCAKERBSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-7-10-4-3-5-11(13)12(10)9(8)2/h3-5,8-9H,6-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (6S,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one?
(6S,7S)-6,7-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 (6S,7S)-6,7-dimethyl-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 58845431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).