1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one

C11H13NO2 — CID 15421000

IUPAC1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCC(=O)c1ccc(=O)n2c1CCCC2
InChIInChI=1S/C11H13NO2/c1-8(13)9-5-6-11(14)12-7-3-2-4-10(9)12/h5-6H,2-4,7H2,1H3
InChIKeyMIYNAKKWPPVVNM-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.39
Rot. Bonds1

About 1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one

1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 15421000) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID15421000
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCC(=O)c1ccc(=O)n2c1CCCC2
InChIInChI=1S/C11H13NO2/c1-8(13)9-5-6-11(14)12-7-3-2-4-10(9)12/h5-6H,2-4,7H2,1H3
InChIKeyMIYNAKKWPPVVNM-UHFFFAOYSA-N
XLogP1.39
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Quinone, 12
CID 14929519
1-Methylquinoline-2,5,8(1H)-trione
CID 5325722
6-Dimethylamino-1-methyl-1h-quinoline-2,5,8-trione
CID 15154335
N-ethyl-5-oxo-5,6,7,8-tetrahydrocarbostyril
CID 12229996
1-Butyl-5,6,7,8-tetrahydro-1h-quinolin-2-one
CID 13169241
1-Isopropyl-7,8-dihydroquinoline-2,5(1H,6H)-dione
CID 10104400
7-methylidene-8,9-dihydro-6H-quinolizin-4-one
CID 134971128
1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone
CID 135038619
1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81106487
1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109165
8-acetyl-2,3-dihydro-1H-indolizin-5-one
CID 15420999
1-acetyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 15421001

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of 1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one (CID 15421000) is 1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for 1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for 1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one is CC(=O)c1ccc(=O)n2c1CCCC2.
What is the InChIKey of 1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is MIYNAKKWPPVVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(13)9-5-6-11(14)12-7-3-2-4-10(9)12/h5-6H,2-4,7H2,1H3.
What are the key properties of 1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one?
1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 15421000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).