2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile

C11H9N5O3 — CID 169340530

IUPAC2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
SMILESCCOc1ccc(NN=C(C#N)C#N)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9N5O3/c1-2-19-9-3-4-10(11(5-9)16(17)18)15-14-8(6-12)7-13/h3-5,15H,2H2,1H3
InChIKeyMYSWQVGXUXOIHK-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.81
Rot. Bonds5

About 2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile

2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile (PubChem CID 169340530) has the molecular formula C11H9N5O3 and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
PubChem CID169340530
Molecular FormulaC11H9N5O3
Molecular Weight259.23 g/mol
Exact Mass259.07
IUPAC Name2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
SMILESCCOc1ccc(NN=C(C#N)C#N)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9N5O3/c1-2-19-9-3-4-10(11(5-9)16(17)18)15-14-8(6-12)7-13/h3-5,15H,2H2,1H3
InChIKeyMYSWQVGXUXOIHK-UHFFFAOYSA-N
XLogP1.81
TPSA124.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxy-2-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168609319
2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169342003
2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341784
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
N-(4-ethoxy-2-nitrophenyl)methanesulfonamide
CID 60640247
N-(2,2-dimethylpropyl)-4-ethoxy-2-nitroaniline
CID 61323922
diethyl 2-[(4-methoxy-2-nitrophenyl)hydrazinylidene]propanedioate
CID 2739559
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169340812
2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169337608
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile (CID 169340530) is 2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile is CCOc1ccc(NN=C(C#N)C#N)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is MYSWQVGXUXOIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O3/c1-2-19-9-3-4-10(11(5-9)16(17)18)15-14-8(6-12)7-13/h3-5,15H,2H2,1H3.
What are the key properties of 2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile?
2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 259.23 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).