2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile

C11H10N4 — CID 169341976

IUPAC2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile
SMILESCCc1ccc(NN=C(C#N)C#N)cc1
InChIInChI=1S/C11H10N4/c1-2-9-3-5-10(6-4-9)14-15-11(7-12)8-13/h3-6,14H,2H2,1H3
InChIKeyQBPFTABUBATCBV-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.06
Rot. Bonds3

About 2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile

2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169341976) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile
PubChem CID169341976
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile
SMILESCCc1ccc(NN=C(C#N)C#N)cc1
InChIInChI=1S/C11H10N4/c1-2-9-3-5-10(6-4-9)14-15-11(7-12)8-13/h3-6,14H,2H2,1H3
InChIKeyQBPFTABUBATCBV-UHFFFAOYSA-N
XLogP2.06
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[4-(methylsulfonylmethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338895
N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide
CID 169341396
2-[[4-(2-hydroxyethylsulfonylmethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339691
2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337835
methyl 3-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]-2-phenylpropanoate
CID 169340327
2-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile
CID 169339198
2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340516
2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169339750
2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile
CID 169340911
2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]sulfanylacetic acid
CID 169340122
2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337336
2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169337420

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile (CID 169341976) is 2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile is CCc1ccc(NN=C(C#N)C#N)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is QBPFTABUBATCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-2-9-3-5-10(6-4-9)14-15-11(7-12)8-13/h3-6,14H,2H2,1H3.
What are the key properties of 2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile?
2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 198.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).