(4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione

C10H15NO2 — CID 10943079

IUPAC(4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione
SMILESCN1C(=O)CC[C@@H]2CCC(=O)C[C@@H]21
InChIInChI=1S/C10H15NO2/c1-11-9-6-8(12)4-2-7(9)3-5-10(11)13/h7,9H,2-6H2,1H3/t7-,9-/m0/s1
InChIKeyNRLRPRYBOQDFSI-CBAPKCEASA-N
MW181.23 g/mol
LogP0.98
Rot. Bonds

About (4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione

(4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione (PubChem CID 10943079) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione.

Molecular Properties

Compound Name(4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione
PubChem CID10943079
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione
SMILESCN1C(=O)CC[C@@H]2CCC(=O)C[C@@H]21
InChIInChI=1S/C10H15NO2/c1-11-9-6-8(12)4-2-7(9)3-5-10(11)13/h7,9H,2-6H2,1H3/t7-,9-/m0/s1
InChIKeyNRLRPRYBOQDFSI-CBAPKCEASA-N
XLogP0.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione with MolForge

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Related Compounds

(1S,4S,6S,8S,9R)-3,6-dimethyl-3-azatricyclo[6.2.2.04,9]dodecane-2,11-dione
CID 10822879
(1S,4R,6R,8S,9R)-3,6-dimethyl-3-azatricyclo[6.2.2.04,9]dodecane-2,11-dione
CID 162932408
4(1H)-Quinolinone, octahydro-1-methyl-
CID 4212512
rac-tert-butyl (4aR,8aR)-7-oxo-decahydroquinoline-1-carboxylate
CID 58739323
(11S)-1-acetyl-11-butyl-1-azaspiro[5.5]undecan-10-one
CID 44383198
Lucidulinone
CID 15450409
1,2-Dimethyldecahydro-4-quinolone
CID 586717
hexahydroquinoline-2,5(1H,3H)-dione
CID 13544659
N-methyldecahydroquinolone
CID 85934367
8-Acetyl-octahydro-4h-quinolizin-4-one
CID 129777335
(4aS,8aR)-4-acetyl-2-propan-2-yl-4,4a,5,7,8,8a-hexahydro-1H-isoquinoline-3,6-dione
CID 359543
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one
CID 51075788

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione?
The IUPAC name of (4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione (CID 10943079) is (4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione.
What is the SMILES notation for (4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione?
The canonical SMILES for (4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione is CN1C(=O)CC[C@@H]2CCC(=O)C[C@@H]21.
What is the InChIKey of (4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione?
The InChIKey is NRLRPRYBOQDFSI-CBAPKCEASA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-9-6-8(12)4-2-7(9)3-5-10(11)13/h7,9H,2-6H2,1H3/t7-,9-/m0/s1.
What are the key properties of (4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione?
(4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione has a molecular weight of 181.23 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione is sourced from PubChem (CID 10943079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).