2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile

C13H14N4O2 — CID 169341784

IUPAC2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile
SMILESCCOc1ccc(OCC)c(NN=C(C#N)C#N)c1
InChIInChI=1S/C13H14N4O2/c1-3-18-11-5-6-13(19-4-2)12(7-11)17-16-10(8-14)9-15/h5-7,17H,3-4H2,1-2H3
InChIKeyPWBVYAWAESGQPJ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.30
Rot. Bonds6

About 2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile

2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169341784) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile
PubChem CID169341784
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile
SMILESCCOc1ccc(OCC)c(NN=C(C#N)C#N)c1
InChIInChI=1S/C13H14N4O2/c1-3-18-11-5-6-13(19-4-2)12(7-11)17-16-10(8-14)9-15/h5-7,17H,3-4H2,1-2H3
InChIKeyPWBVYAWAESGQPJ-UHFFFAOYSA-N
XLogP2.30
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile
CID 169341191
2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169340530
(2,5-diethoxyphenyl)hydrazine
CID 119006370
2-[[2-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338443
2-[(2-iodo-4-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337862
2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341879
2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile
CID 169338596
2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339661
3-cyano-N-(2,5-diethoxyphenyl)benzamide
CID 29455083
5-[(2,5-diethoxyanilino)methyl]thiophene-2-carbonitrile
CID 115743463
N-(2,5-diethoxyphenyl)-5-hydroxypentanamide
CID 79198989
3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide
CID 169341777

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile (CID 169341784) is 2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile is CCOc1ccc(OCC)c(NN=C(C#N)C#N)c1.
What is the InChIKey of 2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is PWBVYAWAESGQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-3-18-11-5-6-13(19-4-2)12(7-11)17-16-10(8-14)9-15/h5-7,17H,3-4H2,1-2H3.
What are the key properties of 2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile?
2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 258.28 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).