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

C9H9NO2 — CID 19986010

IUPAC1,3,4,6-tetrahydroquinoline-2,5-dione
SMILESO=C1CCC2=C(C=CCC2=O)N1
InChIInChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-2H,3-5H2,(H,10,12)
InChIKeyJWYBSJRLBVWXPH-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.68
Rot. Bonds

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

1,3,4,6-tetrahydroquinoline-2,5-dione (PubChem CID 19986010) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1,3,4,6-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name1,3,4,6-tetrahydroquinoline-2,5-dione
PubChem CID19986010
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name1,3,4,6-tetrahydroquinoline-2,5-dione
SMILESO=C1CCC2=C(C=CCC2=O)N1
InChIInChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-2H,3-5H2,(H,10,12)
InChIKeyJWYBSJRLBVWXPH-UHFFFAOYSA-N
XLogP0.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetrahydroquinoline-2,5-dione?
The IUPAC name of 1,3,4,6-tetrahydroquinoline-2,5-dione (CID 19986010) is 1,3,4,6-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 1,3,4,6-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 1,3,4,6-tetrahydroquinoline-2,5-dione is O=C1CCC2=C(C=CCC2=O)N1.
What is the InChIKey of 1,3,4,6-tetrahydroquinoline-2,5-dione?
The InChIKey is JWYBSJRLBVWXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-2H,3-5H2,(H,10,12).
What are the key properties of 1,3,4,6-tetrahydroquinoline-2,5-dione?
1,3,4,6-tetrahydroquinoline-2,5-dione has a molecular weight of 163.18 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 19986010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).