1,3,4,4a,6,7-hexahydroquinoline-2,5-dione

C9H11NO2 — CID 70406278

IUPAC1,3,4,4a,6,7-hexahydroquinoline-2,5-dione
SMILESO=C1CCC2C(=O)CCC=C2N1
InChIInChI=1S/C9H11NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h2,6H,1,3-5H2,(H,10,12)
InChIKeyRDWPCWGRBYSZEE-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.76
Rot. Bonds

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

1,3,4,4a,6,7-hexahydroquinoline-2,5-dione (PubChem CID 70406278) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1,3,4,4a,6,7-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name1,3,4,4a,6,7-hexahydroquinoline-2,5-dione
PubChem CID70406278
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1,3,4,4a,6,7-hexahydroquinoline-2,5-dione
SMILESO=C1CCC2C(=O)CCC=C2N1
InChIInChI=1S/C9H11NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h2,6H,1,3-5H2,(H,10,12)
InChIKeyRDWPCWGRBYSZEE-UHFFFAOYSA-N
XLogP0.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,7(1H,3H)-Quinolinedione, 4,4a,5,6-tetrahydro-
CID 10997393
Hexahydroquinolone
CID 11040874
Tetrahydroquinoline-2,3,4-trione
CID 69116639
2,4-Dioxo-tetrahydrochinoline
CID 129630006
3,3-Diathyl-2,4-dioxo-tetrahydrochinolin
CID 129629988
3,3-Dichlor-2,4-dioxo-tetrahydrochinolin
CID 129648254
Tetrahydro-3,3-dimethyl-2,4-quinolinedione
CID 129706415
Hexahydroquinolone-3-carboxamide
CID 129846063
(+/-)-4-(2-Oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-8-yl)butan-2-one
CID 139073181
4a-methyl-4,4a,5,6-tetrahydro-2,7(1H,3H)-quinolinedione
CID 2806018
4a-methyl-3,4,6,7-tetrahydro-1H-quinoline-2,5-dione
CID 12269235
1,3,4,4a,5,6,7,8-Octahydrocyclohepta[b]pyridin-2-one
CID 15305178

Frequently Asked Questions

What is the IUPAC name of 1,3,4,4a,6,7-hexahydroquinoline-2,5-dione?
The IUPAC name of 1,3,4,4a,6,7-hexahydroquinoline-2,5-dione (CID 70406278) is 1,3,4,4a,6,7-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 1,3,4,4a,6,7-hexahydroquinoline-2,5-dione?
The canonical SMILES for 1,3,4,4a,6,7-hexahydroquinoline-2,5-dione is O=C1CCC2C(=O)CCC=C2N1.
What is the InChIKey of 1,3,4,4a,6,7-hexahydroquinoline-2,5-dione?
The InChIKey is RDWPCWGRBYSZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h2,6H,1,3-5H2,(H,10,12).
What are the key properties of 1,3,4,4a,6,7-hexahydroquinoline-2,5-dione?
1,3,4,4a,6,7-hexahydroquinoline-2,5-dione has a molecular weight of 165.19 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4a,6,7-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 70406278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).