diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate

C15H19N3O6 — CID 14964684

IUPACdiethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate
SMILESCCOC(=O)CC/C(=N\Nc1ccccc1[N+](=O)[O-])C(=O)OCC
InChIInChI=1S/C15H19N3O6/c1-3-23-14(19)10-9-12(15(20)24-4-2)17-16-11-7-5-6-8-13(11)18(21)22/h5-8,16H,3-4,9-10H2,1-2H3/b17-12+
InChIKeyUDWLAELJOBPEOQ-SFQUDFHCSA-N
MW337.33 g/mol
LogP2.27
Rot. Bonds9

About diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate

diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate (PubChem CID 14964684) has the molecular formula C15H19N3O6 and a molecular weight of 337.33 g/mol. Its IUPAC name is diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate.

Molecular Properties

Compound Namediethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate
PubChem CID14964684
Molecular FormulaC15H19N3O6
Molecular Weight337.33 g/mol
Exact Mass337.13
IUPAC Namediethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate
SMILESCCOC(=O)CC/C(=N\Nc1ccccc1[N+](=O)[O-])C(=O)OCC
InChIInChI=1S/C15H19N3O6/c1-3-23-14(19)10-9-12(15(20)24-4-2)17-16-11-7-5-6-8-13(11)18(21)22/h5-8,16H,3-4,9-10H2,1-2H3/b17-12+
InChIKeyUDWLAELJOBPEOQ-SFQUDFHCSA-N
XLogP2.27
TPSA120.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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

ethyl (2Z,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2-nitrophenyl)hydrazinylidene]butanoate
CID 6413874
ethyl (2R)-2-[C-methyl-N-(2-nitroanilino)carbonimidoyl]pentanoate
CID 129431843
ethyl 6-chloro-2-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate
CID 71389689
ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate
CID 27276473
methyl N-(2-nitrophenyl)propanehydrazonate
CID 27210078
ethyl (2E)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(2-nitrophenyl)hydrazinylidene]acetate
CID 6534008
diethyl (3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]-4-oxohexanedioate
CID 42647602
ethyl 2-hydroxyimino-3-(2-nitrophenyl)propanoate
CID 6786703
ethyl (2E)-2-[(4-nitrophenyl)hydrazinylidene]pentanoate
CID 18653713
ethyl 4-[4-(2-nitrophenyl)phenyl]-4-oxobutanoate
CID 54507629
ethyl 2-chloro-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]acetate
CID 53395501
dimethyl (2Z)-2-[[2-[(4-nitrophenyl)methylideneamino]phenyl]hydrazinylidene]pentanedioate
CID 27001716

Frequently Asked Questions

What is the IUPAC name of diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate?
The IUPAC name of diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate (CID 14964684) is diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate.
What is the SMILES notation for diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate?
The canonical SMILES for diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate is CCOC(=O)CC/C(=N\Nc1ccccc1[N+](=O)[O-])C(=O)OCC.
What is the InChIKey of diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate?
The InChIKey is UDWLAELJOBPEOQ-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H19N3O6/c1-3-23-14(19)10-9-12(15(20)24-4-2)17-16-11-7-5-6-8-13(11)18(21)22/h5-8,16H,3-4,9-10H2,1-2H3/b17-12+.
What are the key properties of diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate?
diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate has a molecular weight of 337.33 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate is sourced from PubChem (CID 14964684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).