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

C10H15NO — CID 13283163

IUPAC2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one
SMILESCC1=CC(=O)C2CCCCC2N1
InChIInChI=1S/C10H15NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h6,8-9,11H,2-5H2,1H3
InChIKeySXGJZOMPDDOPSU-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.62
Rot. Bonds

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

2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one (PubChem CID 13283163) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one
PubChem CID13283163
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one
SMILESCC1=CC(=O)C2CCCCC2N1
InChIInChI=1S/C10H15NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h6,8-9,11H,2-5H2,1H3
InChIKeySXGJZOMPDDOPSU-UHFFFAOYSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,4a,5,6-Hexahydroquinolin-7(1H)-one
CID 12377964
(2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one
CID 134861677
3,6,7-Trimethyl-1,2,4a,8a-tetrahydroisoquinoline-5,8-dione
CID 135037728
2,8-bis(trifluoromethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one
CID 44558285
1,2,3,4,5,5a,6,7-Octahydro-1-benzazepin-8-one
CID 14570429
(1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one
CID 15686597
(1R,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one
CID 15686598
2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 12798228
2-ethyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one
CID 20757754
1,3,4,7,8,8a-Hexahydro-3-methyl-6(2H)-isoquinolinone
CID 22161705
2,3,4a,5,6,7-hexahydro-1H-quinolin-4-one
CID 53437856
(E)-1,3-dicyclohexyl-3-(cyclohexylamino)prop-2-en-1-one
CID 68500150

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one?
The IUPAC name of 2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one (CID 13283163) is 2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one is CC1=CC(=O)C2CCCCC2N1.
What is the InChIKey of 2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one?
The InChIKey is SXGJZOMPDDOPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h6,8-9,11H,2-5H2,1H3.
What are the key properties of 2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one?
2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one has a molecular weight of 165.24 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one is sourced from PubChem (CID 13283163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).