3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one

C21H17N3O3 — CID 4509710

IUPAC3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one
SMILESO=C(CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O3/c25-21(17-9-5-2-6-10-17)15-20(16-7-3-1-4-8-16)23-22-18-11-13-19(14-12-18)24(26)27/h1-14,22H,15H2
InChIKeyOOINUIGERHXCLC-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.68
Rot. Bonds7

About 3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one

3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one (PubChem CID 4509710) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one
PubChem CID4509710
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one
SMILESO=C(CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O3/c25-21(17-9-5-2-6-10-17)15-20(16-7-3-1-4-8-16)23-22-18-11-13-19(14-12-18)24(26)27/h1-14,22H,15H2
InChIKeyOOINUIGERHXCLC-UHFFFAOYSA-N
XLogP4.68
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(E)-(5-chloro-1-phenylpentylidene)amino]-4-nitroaniline
CID 6378428
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
CID 12706501
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
(1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonoyl bromide
CID 11348604
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
CID 12584423
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline
CID 9077469
(6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 6837215
2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide
CID 2771528

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one?
The IUPAC name of 3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one (CID 4509710) is 3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one.
What is the SMILES notation for 3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one?
The canonical SMILES for 3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one is O=C(CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one?
The InChIKey is OOINUIGERHXCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-21(17-9-5-2-6-10-17)15-20(16-7-3-1-4-8-16)23-22-18-11-13-19(14-12-18)24(26)27/h1-14,22H,15H2.
What are the key properties of 3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one?
3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one has a molecular weight of 359.39 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one is sourced from PubChem (CID 4509710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).