3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one

C15H21NO2 — CID 3111851

IUPAC3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one
SMILESCC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1C
InChIInChI=1S/C15H21NO2/c1-8-13(10(3)17)9(2)16-11-6-15(4,5)7-12(18)14(8)11/h8,16H,6-7H2,1-5H3
InChIKeyKRWNNYXEKJJWCT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.73
Rot. Bonds1

About 3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one

3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one (PubChem CID 3111851) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one.

Molecular Properties

Compound Name3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one
PubChem CID3111851
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one
SMILESCC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1C
InChIInChI=1S/C15H21NO2/c1-8-13(10(3)17)9(2)16-11-6-15(4,5)7-12(18)14(8)11/h8,16H,6-7H2,1-5H3
InChIKeyKRWNNYXEKJJWCT-UHFFFAOYSA-N
XLogP2.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,7,7-Tetramethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 2829708
3-Amino-2-[(2-amino-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one
CID 300899
3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 379950
Mls003171441
CID 342603
4-Butyl-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 2766164
1,2,3,4,5,6,7,8,9,10-Decahydroacridine-1,8-dione
CID 339235
3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 379938
3,3,6,6,10-Pentamethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 379949
9-Isopropyl-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-2H,5H-acridine-1,8-dione
CID 4083140
9-Ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 2729057
1,8(2H,5H)-Acridinedione, 3,4,6,7,9,10-hexahydro-9-methyl-
CID 11680238
9-(3-Fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 140532637

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one?
The IUPAC name of 3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one (CID 3111851) is 3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one.
What is the SMILES notation for 3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one?
The canonical SMILES for 3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one is CC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1C.
What is the InChIKey of 3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one?
The InChIKey is KRWNNYXEKJJWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-8-13(10(3)17)9(2)16-11-6-15(4,5)7-12(18)14(8)11/h8,16H,6-7H2,1-5H3.
What are the key properties of 3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one?
3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one has a molecular weight of 247.34 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2,4,7,7-tetramethyl-1,4,6,8-tetrahydroquinolin-5-one is sourced from PubChem (CID 3111851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).