7H-cinnolin-8-one

C8H6N2O — CID 141445388

IUPAC7H-cinnolin-8-one
SMILESO=C1CC=Cc2ccnnc21
InChIInChI=1S/C8H6N2O/c11-7-3-1-2-6-4-5-9-10-8(6)7/h1-2,4-5H,3H2
InChIKeyYZHRZFPSYWYUBU-UHFFFAOYSA-N
MW146.15 g/mol
LogP1.08
Rot. Bonds

About 7H-cinnolin-8-one

7H-cinnolin-8-one (PubChem CID 141445388) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 7H-cinnolin-8-one.

Molecular Properties

Compound Name7H-cinnolin-8-one
PubChem CID141445388
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name7H-cinnolin-8-one
SMILESO=C1CC=Cc2ccnnc21
InChIInChI=1S/C8H6N2O/c11-7-3-1-2-6-4-5-9-10-8(6)7/h1-2,4-5H,3H2
InChIKeyYZHRZFPSYWYUBU-UHFFFAOYSA-N
XLogP1.08
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7H-cinnolin-8-one?
The IUPAC name of 7H-cinnolin-8-one (CID 141445388) is 7H-cinnolin-8-one.
What is the SMILES notation for 7H-cinnolin-8-one?
The canonical SMILES for 7H-cinnolin-8-one is O=C1CC=Cc2ccnnc21.
What is the InChIKey of 7H-cinnolin-8-one?
The InChIKey is YZHRZFPSYWYUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-7-3-1-2-6-4-5-9-10-8(6)7/h1-2,4-5H,3H2.
What are the key properties of 7H-cinnolin-8-one?
7H-cinnolin-8-one has a molecular weight of 146.15 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-cinnolin-8-one is sourced from PubChem (CID 141445388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).