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

C10H15NO2 — CID 67855379

IUPAC1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-dione
SMILESCN1C(=O)CCC2C(=O)CCCC21
InChIInChI=1S/C10H15NO2/c1-11-8-3-2-4-9(12)7(8)5-6-10(11)13/h7-8H,2-6H2,1H3
InChIKeyYYSBRPJIYOKHOF-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.98
Rot. Bonds

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

1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-dione (PubChem CID 67855379) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-dione
PubChem CID67855379
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-dione
SMILESCN1C(=O)CCC2C(=O)CCCC21
InChIInChI=1S/C10H15NO2/c1-11-8-3-2-4-9(12)7(8)5-6-10(11)13/h7-8H,2-6H2,1H3
InChIKeyYYSBRPJIYOKHOF-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-dione (CID 67855379) is 1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-dione is CN1C(=O)CCC2C(=O)CCCC21.
What is the InChIKey of 1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-dione?
The InChIKey is YYSBRPJIYOKHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-8-3-2-4-9(12)7(8)5-6-10(11)13/h7-8H,2-6H2,1H3.
What are the key properties of 1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-dione?
1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-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 1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 67855379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).