6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione

C10H11NO2 — CID 58784968

IUPAC6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione
SMILESCC1=CCC2=C(CCC(=O)N2)C1=O
InChIInChI=1S/C10H11NO2/c1-6-2-4-8-7(10(6)13)3-5-9(12)11-8/h2H,3-5H2,1H3,(H,11,12)
InChIKeyYQQXFURKZGSGEX-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.07
Rot. Bonds

About 6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione

6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione (PubChem CID 58784968) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione
PubChem CID58784968
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione
SMILESCC1=CCC2=C(CCC(=O)N2)C1=O
InChIInChI=1S/C10H11NO2/c1-6-2-4-8-7(10(6)13)3-5-9(12)11-8/h2H,3-5H2,1H3,(H,11,12)
InChIKeyYQQXFURKZGSGEX-UHFFFAOYSA-N
XLogP1.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione (CID 58784968) is 6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione is CC1=CCC2=C(CCC(=O)N2)C1=O.
What is the InChIKey of 6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione?
The InChIKey is YQQXFURKZGSGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-2-4-8-7(10(6)13)3-5-9(12)11-8/h2H,3-5H2,1H3,(H,11,12).
What are the key properties of 6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione?
6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione has a molecular weight of 177.20 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 58784968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).