4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one

C13H21NO — CID 10081766

IUPAC4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one
SMILESCC1CC(=O)N(C(C)C)C2=CCCCC21
InChIInChI=1S/C13H21NO/c1-9(2)14-12-7-5-4-6-11(12)10(3)8-13(14)15/h7,9-11H,4-6,8H2,1-3H3
InChIKeyPUXDPXVLZZWOGQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.95
Rot. Bonds1

About 4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one

4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one (PubChem CID 10081766) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one
PubChem CID10081766
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one
SMILESCC1CC(=O)N(C(C)C)C2=CCCCC21
InChIInChI=1S/C13H21NO/c1-9(2)14-12-7-5-4-6-11(12)10(3)8-13(14)15/h7,9-11H,4-6,8H2,1-3H3
InChIKeyPUXDPXVLZZWOGQ-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one
CID 70852566
1,2,3,6,8,9,10,11,11a,11b-Decahydrobenzo[a]quinolizin-4-one
CID 10774629
13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one
CID 123883569
(9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one
CID 135020075
4-Methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadeca-2,8-dien-14-one
CID 164674395
4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one
CID 143465428
(4aR,8aS)-1-methyl-3,4,4a,7,8,8a-hexahydroquinolin-2-one
CID 14526647
(4S,8R,11R,13S)-11-propan-2-yl-1-azatricyclo[6.3.2.04,13]tridec-6-en-12-one
CID 102272824
(4aS,8aS)-1-methyl-3,4,4a,7,8,8a-hexahydroquinolin-2-one
CID 131871786
(4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one
CID 14414784
2,3,4,4a,7,8,9,10,11,12a-decahydro-1H-azepino[1,2-b]isoquinolin-5-one
CID 23344255
(6aR,10bS)-4,7,8,10b-tetramethyl-2,6,6a,7,8,9-hexahydro-1H-benzo[f]quinolin-3-one
CID 53981962

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one?
The IUPAC name of 4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one (CID 10081766) is 4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one.
What is the SMILES notation for 4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one?
The canonical SMILES for 4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one is CC1CC(=O)N(C(C)C)C2=CCCCC21.
What is the InChIKey of 4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one?
The InChIKey is PUXDPXVLZZWOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)14-12-7-5-4-6-11(12)10(3)8-13(14)15/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one?
4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one has a molecular weight of 207.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one is sourced from PubChem (CID 10081766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).