1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one

C12H21NO — CID 601983

IUPAC1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one
SMILESCC1CC(=O)C2CCCCC2(C)N1C
InChIInChI=1S/C12H21NO/c1-9-8-11(14)10-6-4-5-7-12(10,2)13(9)3/h9-10H,4-8H2,1-3H3
InChIKeyHPUNYTZFAGLYSC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds

About 1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one

1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one (PubChem CID 601983) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one.

Molecular Properties

Compound Name1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one
PubChem CID601983
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one
SMILESCC1CC(=O)C2CCCCC2(C)N1C
InChIInChI=1S/C12H21NO/c1-9-8-11(14)10-6-4-5-7-12(10,2)13(9)3/h9-10H,4-8H2,1-3H3
InChIKeyHPUNYTZFAGLYSC-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one with MolForge

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Related Compounds

(1S,11R,14S)-1-hydroxy-14-methylbicyclo[9.4.0]pentadecan-12-one
CID 45380105
(3R,4aS,8aR)-3,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 22212489
CID 11850255
CID 11850255
6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one
CID 130037349
(2R,4aS)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 67848050
3,3-dimethyltricyclo[4.4.0.01,5]decan-4-one
CID 130029675
(5S)-1-cyclohexyl-5-methylpyrazolidin-3-one
CID 102075295
(4R)-1-cyclohexyl-4-methylazetidin-2-one
CID 177433299
(5S,8S,9S,10S,13R,14R)-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
CID 125028459
1,2,2,6-tetramethylpiperidine
CID 23423758
(1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroquinolin-4-yl) 2,2,3,3,4,4,4-heptafluorobutanoate
CID 596218
2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one
CID 63829947

Frequently Asked Questions

What is the IUPAC name of 1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one?
The IUPAC name of 1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one (CID 601983) is 1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one.
What is the SMILES notation for 1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one?
The canonical SMILES for 1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one is CC1CC(=O)C2CCCCC2(C)N1C.
What is the InChIKey of 1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one?
The InChIKey is HPUNYTZFAGLYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-8-11(14)10-6-4-5-7-12(10,2)13(9)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one?
1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one has a molecular weight of 195.31 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8a-trimethyl-3,4a,5,6,7,8-hexahydro-2H-quinolin-4-one is sourced from PubChem (CID 601983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).