2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile

C17H12N4O2 — CID 169341142

IUPAC2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile
SMILESCOc1ccc(C(=O)c2ccccc2NN=C(C#N)C#N)cc1
InChIInChI=1S/C17H12N4O2/c1-23-14-8-6-12(7-9-14)17(22)15-4-2-3-5-16(15)21-20-13(10-18)11-19/h2-9,21H,1H3
InChIKeyOUHRFRLTJAMODH-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.74
Rot. Bonds5

About 2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile

2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169341142) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169341142
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile
SMILESCOc1ccc(C(=O)c2ccccc2NN=C(C#N)C#N)cc1
InChIInChI=1S/C17H12N4O2/c1-23-14-8-6-12(7-9-14)17(22)15-4-2-3-5-16(15)21-20-13(10-18)11-19/h2-9,21H,1H3
InChIKeyOUHRFRLTJAMODH-UHFFFAOYSA-N
XLogP2.74
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338491
2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7308684
2-[(2-iodo-4-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337862
2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337574
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid
CID 169341790
2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
CID 169340413
3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide
CID 169341777
1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea
CID 110613344
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile (CID 169341142) is 2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile is COc1ccc(C(=O)c2ccccc2NN=C(C#N)C#N)cc1.
What is the InChIKey of 2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is OUHRFRLTJAMODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c1-23-14-8-6-12(7-9-14)17(22)15-4-2-3-5-16(15)21-20-13(10-18)11-19/h2-9,21H,1H3.
What are the key properties of 2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 304.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).