[(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate

C11H10N2O6 — CID 6443322

IUPAC[(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate
SMILESCC(=O)OC/C(=C/c1ccccc1[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C11H10N2O6/c1-8(14)19-7-10(12(15)16)6-9-4-2-3-5-11(9)13(17)18/h2-6H,7H2,1H3/b10-6-
InChIKeyYRYIOHOQYJSJOS-POHAHGRESA-N
MW266.21 g/mol
LogP1.78
Rot. Bonds5

About [(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate

[(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate (PubChem CID 6443322) has the molecular formula C11H10N2O6 and a molecular weight of 266.21 g/mol. Its IUPAC name is [(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate
PubChem CID6443322
Molecular FormulaC11H10N2O6
Molecular Weight266.21 g/mol
Exact Mass266.05
IUPAC Name[(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate
SMILESCC(=O)OC/C(=C/c1ccccc1[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C11H10N2O6/c1-8(14)19-7-10(12(15)16)6-9-4-2-3-5-11(9)13(17)18/h2-6H,7H2,1H3/b10-6-
InChIKeyYRYIOHOQYJSJOS-POHAHGRESA-N
XLogP1.78
TPSA112.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] 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

1-nitro-2-(2-nitrobut-1-enyl)benzene
CID 72796209
3-[(2-nitrophenyl)methylidene]pentane-2,4-dione
CID 5077888
[(E)-3-(4-bromophenyl)-2-nitroprop-2-enyl] acetate
CID 121220146
ethyl 3-(2-nitrophenyl)-2-phenylprop-2-enoate
CID 54552089
ethyl (Z)-2-fluoro-3-(2-nitrophenyl)prop-2-enoate
CID 121222967
(E)-2-methyl-3-(2-nitrophenyl)-1-phenylprop-2-en-1-one
CID 12710024
1-(2-methylpent-1-enyl)-2-nitrobenzene
CID 158113954
methyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoate
CID 2259865
methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate
CID 164745403
2-methylpropyl (E)-2-cyano-3-(2-nitrophenyl)prop-2-enoate
CID 139577985
2-[(2-nitrophenyl)methylidene]-3-oxopentanoic acid
CID 57160343
2-[(2-nitrophenyl)methylidene]pentanal
CID 146503293

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate?
The IUPAC name of [(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate (CID 6443322) is [(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate.
What is the SMILES notation for [(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate?
The canonical SMILES for [(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate is CC(=O)OC/C(=C/c1ccccc1[N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of [(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate?
The InChIKey is YRYIOHOQYJSJOS-POHAHGRESA-N. The full InChI is InChI=1S/C11H10N2O6/c1-8(14)19-7-10(12(15)16)6-9-4-2-3-5-11(9)13(17)18/h2-6H,7H2,1H3/b10-6-.
What are the key properties of [(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate?
[(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate has a molecular weight of 266.21 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate is sourced from PubChem (CID 6443322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).