3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C10H13NO2 — CID 12742313

IUPAC3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCC1CC2=C(CCCC2=O)NC1=O
InChIInChI=1S/C10H13NO2/c1-6-5-7-8(11-10(6)13)3-2-4-9(7)12/h6H,2-5H2,1H3,(H,11,13)
InChIKeyFLMLEBLKNYPOER-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.15
Rot. Bonds

About 3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 12742313) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID12742313
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCC1CC2=C(CCCC2=O)NC1=O
InChIInChI=1S/C10H13NO2/c1-6-5-7-8(11-10(6)13)3-2-4-9(7)12/h6H,2-5H2,1H3,(H,11,13)
InChIKeyFLMLEBLKNYPOER-UHFFFAOYSA-N
XLogP1.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 12742313) is 3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is CC1CC2=C(CCCC2=O)NC1=O.
What is the InChIKey of 3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is FLMLEBLKNYPOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-5-7-8(11-10(6)13)3-2-4-9(7)12/h6H,2-5H2,1H3,(H,11,13).
What are the key properties of 3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 179.22 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 12742313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).