(2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one

C16H14N4O4 — CID 40512668

IUPAC(2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one
SMILESCO/N=C\C(=N\Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1
InChIInChI=1S/C16H14N4O4/c1-24-17-11-15(16(21)12-5-3-2-4-6-12)19-18-13-7-9-14(10-8-13)20(22)23/h2-11,18H,1H3/b17-11-,19-15-
InChIKeyWRDDDKRCDKGLBW-PQNVMWSQSA-N
MW326.31 g/mol
LogP2.88
Rot. Bonds7

About (2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one

(2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one (PubChem CID 40512668) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is (2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one
PubChem CID40512668
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name(2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one
SMILESCO/N=C\C(=N\Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1
InChIInChI=1S/C16H14N4O4/c1-24-17-11-15(16(21)12-5-3-2-4-6-12)19-18-13-7-9-14(10-8-13)20(22)23/h2-11,18H,1H3/b17-11-,19-15-
InChIKeyWRDDDKRCDKGLBW-PQNVMWSQSA-N
XLogP2.88
TPSA106.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

(1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonoyl bromide
CID 11348604
(2Z,3Z)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]-N-phenylpropanamide
CID 40513021
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
CID 12706501
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one
CID 4509710
[2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate
CID 6269804
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid
CID 11816613
2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide
CID 2771528
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one?
The IUPAC name of (2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one (CID 40512668) is (2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one.
What is the SMILES notation for (2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one?
The canonical SMILES for (2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one is CO/N=C\C(=N\Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1.
What is the InChIKey of (2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one?
The InChIKey is WRDDDKRCDKGLBW-PQNVMWSQSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-24-17-11-15(16(21)12-5-3-2-4-6-12)19-18-13-7-9-14(10-8-13)20(22)23/h2-11,18H,1H3/b17-11-,19-15-.
What are the key properties of (2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one?
(2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one has a molecular weight of 326.31 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one is sourced from PubChem (CID 40512668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).