3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one

C19H12N2O2 — CID 10086160

IUPAC3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one
SMILESCC(=O)c1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1
InChIInChI=1S/C19H12N2O2/c1-11(22)12-6-8-13(9-7-12)17-10-16-18(21-20-17)14-4-2-3-5-15(14)19(16)23/h2-10H,1H3
InChIKeyXKOKLLKEPCSCSE-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.56
Rot. Bonds2

About 3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one

3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one (PubChem CID 10086160) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one
PubChem CID10086160
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one
SMILESCC(=O)c1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1
InChIInChI=1S/C19H12N2O2/c1-11(22)12-6-8-13(9-7-12)17-10-16-18(21-20-17)14-4-2-3-5-15(14)19(16)23/h2-10H,1H3
InChIKeyXKOKLLKEPCSCSE-UHFFFAOYSA-N
XLogP3.56
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one (CID 10086160) is 3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one is CC(=O)c1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1.
What is the InChIKey of 3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one?
The InChIKey is XKOKLLKEPCSCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c1-11(22)12-6-8-13(9-7-12)17-10-16-18(21-20-17)14-4-2-3-5-15(14)19(16)23/h2-10H,1H3.
What are the key properties of 3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one?
3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one has a molecular weight of 300.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)indeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 10086160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).