2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione

C10H11NO2 — CID 165348779

IUPAC2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione
SMILESCC1=NC2=C(CCCC2=O)CC1=O
InChIInChI=1S/C10H11NO2/c1-6-9(13)5-7-3-2-4-8(12)10(7)11-6/h2-5H2,1H3
InChIKeySXJIGFMJPJRRKX-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.43
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione

2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione (PubChem CID 165348779) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione
PubChem CID165348779
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione
SMILESCC1=NC2=C(CCCC2=O)CC1=O
InChIInChI=1S/C10H11NO2/c1-6-9(13)5-7-3-2-4-8(12)10(7)11-6/h2-5H2,1H3
InChIKeySXJIGFMJPJRRKX-UHFFFAOYSA-N
XLogP1.43
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione (CID 165348779) is 2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione is CC1=NC2=C(CCCC2=O)CC1=O.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione?
The InChIKey is SXJIGFMJPJRRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-9(13)5-7-3-2-4-8(12)10(7)11-6/h2-5H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione?
2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione has a molecular weight of 177.20 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydroquinoline-3,8-dione is sourced from PubChem (CID 165348779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).