1-acetylcinnolin-4-one

C10H8N2O2 — CID 124800044

IUPAC1-acetylcinnolin-4-one
SMILESCC(=O)n1ncc(=O)c2ccccc21
InChIInChI=1S/C10H8N2O2/c1-7(13)12-9-5-3-2-4-8(9)10(14)6-11-12/h2-6H,1H3
InChIKeyKPOSKPNVQAAPSU-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.06
Rot. Bonds

About 1-acetylcinnolin-4-one

1-acetylcinnolin-4-one (PubChem CID 124800044) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-acetylcinnolin-4-one.

Molecular Properties

Compound Name1-acetylcinnolin-4-one
PubChem CID124800044
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name1-acetylcinnolin-4-one
SMILESCC(=O)n1ncc(=O)c2ccccc21
InChIInChI=1S/C10H8N2O2/c1-7(13)12-9-5-3-2-4-8(9)10(14)6-11-12/h2-6H,1H3
InChIKeyKPOSKPNVQAAPSU-UHFFFAOYSA-N
XLogP1.06
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetylcinnolin-4-one?
The IUPAC name of 1-acetylcinnolin-4-one (CID 124800044) is 1-acetylcinnolin-4-one.
What is the SMILES notation for 1-acetylcinnolin-4-one?
The canonical SMILES for 1-acetylcinnolin-4-one is CC(=O)n1ncc(=O)c2ccccc21.
What is the InChIKey of 1-acetylcinnolin-4-one?
The InChIKey is KPOSKPNVQAAPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-7(13)12-9-5-3-2-4-8(9)10(14)6-11-12/h2-6H,1H3.
What are the key properties of 1-acetylcinnolin-4-one?
1-acetylcinnolin-4-one has a molecular weight of 188.19 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylcinnolin-4-one is sourced from PubChem (CID 124800044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).