2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile

C10H8N2O2 — CID 2801374

IUPAC2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C10H8N2O2/c11-5-6-4-7-8(12-10(6)14)2-1-3-9(7)13/h4H,1-3H2,(H,12,14)
InChIKeyGSAHGZPXIFULGM-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.77
Rot. Bonds

About 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile

2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 2801374) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID2801374
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C10H8N2O2/c11-5-6-4-7-8(12-10(6)14)2-1-3-9(7)13/h4H,1-3H2,(H,12,14)
InChIKeyGSAHGZPXIFULGM-UHFFFAOYSA-N
XLogP0.77
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 2801374) is 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c([nH]c1=O)CCCC2=O.
What is the InChIKey of 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is GSAHGZPXIFULGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-5-6-4-7-8(12-10(6)14)2-1-3-9(7)13/h4H,1-3H2,(H,12,14).
What are the key properties of 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile?
2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 188.19 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 2801374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).