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

C19H14N2O — CID 10265999

IUPAC3-(2-phenylethyl)indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(CCc3ccccc3)cc21
InChIInChI=1S/C19H14N2O/c22-19-16-9-5-4-8-15(16)18-17(19)12-14(20-21-18)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKeyJLQGVMILXWDONR-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.47
Rot. Bonds3

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

3-(2-phenylethyl)indeno[1,2-c]pyridazin-5-one (PubChem CID 10265999) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(2-phenylethyl)indeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-(2-phenylethyl)indeno[1,2-c]pyridazin-5-one
PubChem CID10265999
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name3-(2-phenylethyl)indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(CCc3ccccc3)cc21
InChIInChI=1S/C19H14N2O/c22-19-16-9-5-4-8-15(16)18-17(19)12-14(20-21-18)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKeyJLQGVMILXWDONR-UHFFFAOYSA-N
XLogP3.47
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-5H-indeno[1,2-c]pyridazin-5-one
CID 379341
3-Phenyl-5H-indeno[1,2-c]pyridazin-5-one
CID 379337
3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2767330
3-(2-nitrophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 10357601
4-phenyl-5H-indeno[1,2-c]pyridazin-5-one
CID 10106561
3-(4-Chlorophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 379339
3-(4-nitrophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 379340
3-(4-fluorophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2765447
3-(2-thienyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2765457
3-(4-bromophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2767328
3-(3-chlorophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2767331
3-(2-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2769183

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)indeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-(2-phenylethyl)indeno[1,2-c]pyridazin-5-one (CID 10265999) is 3-(2-phenylethyl)indeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-(2-phenylethyl)indeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-(2-phenylethyl)indeno[1,2-c]pyridazin-5-one is O=C1c2ccccc2-c2nnc(CCc3ccccc3)cc21.
What is the InChIKey of 3-(2-phenylethyl)indeno[1,2-c]pyridazin-5-one?
The InChIKey is JLQGVMILXWDONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c22-19-16-9-5-4-8-15(16)18-17(19)12-14(20-21-18)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2.
What are the key properties of 3-(2-phenylethyl)indeno[1,2-c]pyridazin-5-one?
3-(2-phenylethyl)indeno[1,2-c]pyridazin-5-one has a molecular weight of 286.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)indeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 10265999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).