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

C19H12N2O — CID 10107929

IUPAC3-[(E)-2-phenylethenyl]indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(/C=C/c3ccccc3)cc21
InChIInChI=1S/C19H12N2O/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/h1-12H/b11-10+
InChIKeyRLPGTPIQWSHMHZ-ZHACJKMWSA-N
MW284.32 g/mol
LogP3.86
Rot. Bonds2

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

3-[(E)-2-phenylethenyl]indeno[1,2-c]pyridazin-5-one (PubChem CID 10107929) has the molecular formula C19H12N2O and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]indeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]indeno[1,2-c]pyridazin-5-one
PubChem CID10107929
Molecular FormulaC19H12N2O
Molecular Weight284.32 g/mol
Exact Mass284.09
IUPAC Name3-[(E)-2-phenylethenyl]indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(/C=C/c3ccccc3)cc21
InChIInChI=1S/C19H12N2O/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/h1-12H/b11-10+
InChIKeyRLPGTPIQWSHMHZ-ZHACJKMWSA-N
XLogP3.86
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.86
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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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]indeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-[(E)-2-phenylethenyl]indeno[1,2-c]pyridazin-5-one (CID 10107929) is 3-[(E)-2-phenylethenyl]indeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]indeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-[(E)-2-phenylethenyl]indeno[1,2-c]pyridazin-5-one is O=C1c2ccccc2-c2nnc(/C=C/c3ccccc3)cc21.
What is the InChIKey of 3-[(E)-2-phenylethenyl]indeno[1,2-c]pyridazin-5-one?
The InChIKey is RLPGTPIQWSHMHZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H12N2O/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/h1-12H/b11-10+.
What are the key properties of 3-[(E)-2-phenylethenyl]indeno[1,2-c]pyridazin-5-one?
3-[(E)-2-phenylethenyl]indeno[1,2-c]pyridazin-5-one has a molecular weight of 284.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]indeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 10107929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).