2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile

C12H10N4O — CID 169338880

IUPAC2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile
SMILESC=CCOc1cccc(NN=C(C#N)C#N)c1
InChIInChI=1S/C12H10N4O/c1-2-6-17-12-5-3-4-10(7-12)15-16-11(8-13)9-14/h2-5,7,15H,1,6H2
InChIKeyVKCGLIZUNCCLHG-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.07
Rot. Bonds5

About 2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile

2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169338880) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile
PubChem CID169338880
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile
SMILESC=CCOc1cccc(NN=C(C#N)C#N)c1
InChIInChI=1S/C12H10N4O/c1-2-6-17-12-5-3-4-10(7-12)15-16-11(8-13)9-14/h2-5,7,15H,1,6H2
InChIKeyVKCGLIZUNCCLHG-UHFFFAOYSA-N
XLogP2.07
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.07
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339736
2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339661
2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339853
2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338906
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
methyl 2-cyano-2-[(3-ethoxyphenyl)hydrazinylidene]acetate
CID 829140
2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339424
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide
CID 169337738
1-(3-cyanophenyl)-N-(3-prop-2-enoxyphenyl)methanesulfonamide
CID 84598578
tert-butyl N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 169338149
1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea
CID 60577561

Frequently Asked Questions

What is the IUPAC name of 2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile (CID 169338880) is 2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile is C=CCOc1cccc(NN=C(C#N)C#N)c1.
What is the InChIKey of 2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is VKCGLIZUNCCLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-2-6-17-12-5-3-4-10(7-12)15-16-11(8-13)9-14/h2-5,7,15H,1,6H2.
What are the key properties of 2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile?
2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 226.24 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169338880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).