3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione

C12H17NO2 — CID 4210238

IUPAC3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCC1CC2=C(CC(C)(C)CC2=O)NC1=O
InChIInChI=1S/C12H17NO2/c1-7-4-8-9(13-11(7)15)5-12(2,3)6-10(8)14/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyVCCAWNRYADWUIY-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.79
Rot. Bonds

About 3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione

3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (PubChem CID 4210238) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
PubChem CID4210238
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCC1CC2=C(CC(C)(C)CC2=O)NC1=O
InChIInChI=1S/C12H17NO2/c1-7-4-8-9(13-11(7)15)5-12(2,3)6-10(8)14/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyVCCAWNRYADWUIY-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione with MolForge

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Related Compounds

3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 12742313
3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione
CID 15322685
3-methyl-3,4,5,6,7,8-hexahydro-1H-quinolin-2-one
CID 13082108
(4S)-2,4,7,7-tetramethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 721570
3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 6931158
7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 17285700
ethane;3-methylpyrrolidine-2,5-dione;propane
CID 145077035
4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 58119712
7,7-dimethyl-3-(trifluoromethyl)-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 144606850
(4S)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7248810
(4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7413494
(2S,11R)-11-hydroxy-1,7,7-trimethyl-10-oxa-1-azoniatetracyclo[10.2.2.02,11.04,9]hexadec-4(9)-en-5-one
CID 944678

Frequently Asked Questions

What is the IUPAC name of 3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The IUPAC name of 3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (CID 4210238) is 3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The canonical SMILES for 3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is CC1CC2=C(CC(C)(C)CC2=O)NC1=O.
What is the InChIKey of 3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The InChIKey is VCCAWNRYADWUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-4-8-9(13-11(7)15)5-12(2,3)6-10(8)14/h7H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione has a molecular weight of 207.27 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7-trimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 4210238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).