ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate

C10H11N3O4 — CID 27276473

IUPACethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C=N\Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O4/c1-2-17-10(14)7-11-12-8-5-3-4-6-9(8)13(15)16/h3-7,12H,2H2,1H3/b11-7-
InChIKeyOOZRPAQXEZCIOA-XFFZJAGNSA-N
MW237.22 g/mol
LogP1.56
Rot. Bonds5

About ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate

ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate (PubChem CID 27276473) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate
PubChem CID27276473
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Nameethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C=N\Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O4/c1-2-17-10(14)7-11-12-8-5-3-4-6-9(8)13(15)16/h3-7,12H,2H2,1H3/b11-7-
InChIKeyOOZRPAQXEZCIOA-XFFZJAGNSA-N
XLogP1.56
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
CID 27137964
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate
CID 14964684
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline
CID 6131807
ethyl (2R)-2-[C-methyl-N-(2-nitroanilino)carbonimidoyl]pentanoate
CID 129431843
2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 4097319
ethyl (Z)-3-(2-methyl-3-nitroanilino)prop-2-enoate
CID 10682105
methyl N-(2-nitrophenyl)propanehydrazonate
CID 27210078
1-ethoxy-3-(2-nitrophenyl)urea
CID 5118633
ethyl (2Z,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2-nitrophenyl)hydrazinylidene]butanoate
CID 6413874
propyl N-(2-nitroanilino)carbamate
CID 68978781
1-(2-nitrophenyl)-3-propoxyurea
CID 5118634

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate (CID 27276473) is ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate is CCOC(=O)/C=N\Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate?
The InChIKey is OOZRPAQXEZCIOA-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-2-17-10(14)7-11-12-8-5-3-4-6-9(8)13(15)16/h3-7,12H,2H2,1H3/b11-7-.
What are the key properties of ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate?
ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate has a molecular weight of 237.22 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 27276473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).