2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile

C16H12N4O — CID 169338906

IUPAC2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
SMILESCOc1ccc(-c2cccc(NN=C(C#N)C#N)c2)cc1
InChIInChI=1S/C16H12N4O/c1-21-16-7-5-12(6-8-16)13-3-2-4-14(9-13)19-20-15(10-17)11-18/h2-9,19H,1H3
InChIKeyLPAJMGHIZQFLIP-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.18
Rot. Bonds4

About 2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile

2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169338906) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169338906
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
SMILESCOc1ccc(-c2cccc(NN=C(C#N)C#N)c2)cc1
InChIInChI=1S/C16H12N4O/c1-21-16-7-5-12(6-8-16)13-3-2-4-14(9-13)19-20-15(10-17)11-18/h2-9,19H,1H3
InChIKeyLPAJMGHIZQFLIP-UHFFFAOYSA-N
XLogP3.18
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[[3-(3,4,5-trimethoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339325
2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339424
2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339661
2-[[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]hydrazinylidene]propanedinitrile
CID 169340301
2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339853
2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340828
2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile
CID 169338880
2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
CID 169337896
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340608
methyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]acetate
CID 169337886
2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340937

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile (CID 169338906) is 2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile is COc1ccc(-c2cccc(NN=C(C#N)C#N)c2)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is LPAJMGHIZQFLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-21-16-7-5-12(6-8-16)13-3-2-4-14(9-13)19-20-15(10-17)11-18/h2-9,19H,1H3.
What are the key properties of 2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 276.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169338906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).