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

C10H13NO2 — CID 2806018

IUPAC4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-dione
SMILESCC12CCC(=O)C=C1NC(=O)CC2
InChIInChI=1S/C10H13NO2/c1-10-4-2-7(12)6-8(10)11-9(13)3-5-10/h6H,2-5H2,1H3,(H,11,13)
InChIKeyIDCSGJHJVCJEBO-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.15
Rot. Bonds

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

4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-dione (PubChem CID 2806018) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-dione.

Molecular Properties

Compound Name4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-dione
PubChem CID2806018
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-dione
SMILESCC12CCC(=O)C=C1NC(=O)CC2
InChIInChI=1S/C10H13NO2/c1-10-4-2-7(12)6-8(10)11-9(13)3-5-10/h6H,2-5H2,1H3,(H,11,13)
InChIKeyIDCSGJHJVCJEBO-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

Analyze 4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-dione with MolForge

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Related Compounds

Mls003171441
CID 342603
N-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetamide
CID 2731809
2,7(1H,3H)-Quinolinedione, 4,4a,5,6-tetrahydro-
CID 10997393
Hexahydroquinoline-2,5-dione
CID 70406278
2,4-Dioxo-tetrahydrochinoline
CID 129630006
Quinolin-5(6H)-one, 7,8-dihydro-2-hydroxy-4,7,7-trimethyl-
CID 591156
2(1H)-Quinolinone, 3,4,4a,5,6,7-hexahydro-4a-methyl-
CID 12269247
3,3-Diathyl-2,4-dioxo-tetrahydrochinolin
CID 129629988
Tetrahydro-3,3-dimethyl-2,4-quinolinedione
CID 129706415
(6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione
CID 10560840
(4R,4aS)-4,4a-dimethyl-6-propan-2-ylidene-3,4,5,7-tetrahydro-1H-quinolin-2-one
CID 101122179
4a-methyl-3,4,6,7-tetrahydro-1H-quinoline-2,5-dione
CID 12269235

Frequently Asked Questions

What is the IUPAC name of 4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-dione?
The IUPAC name of 4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-dione (CID 2806018) is 4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-dione.
What is the SMILES notation for 4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-dione?
The canonical SMILES for 4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-dione is CC12CCC(=O)C=C1NC(=O)CC2.
What is the InChIKey of 4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-dione?
The InChIKey is IDCSGJHJVCJEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10-4-2-7(12)6-8(10)11-9(13)3-5-10/h6H,2-5H2,1H3,(H,11,13).
What are the key properties of 4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-dione?
4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-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 4a-methyl-3,4,5,6-tetrahydro-1H-quinoline-2,7-dione is sourced from PubChem (CID 2806018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).