(2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone

C14H11N3O3 — CID 27138490

IUPAC(2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone
SMILESN/N=C(\C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N3O3/c15-16-13(14(18)11-4-2-1-3-5-11)10-6-8-12(9-7-10)17(19)20/h1-9H,15H2/b16-13-
InChIKeyFYFPDRZWLPWODV-SSZFMOIBSA-N
MW269.26 g/mol
LogP2.14
Rot. Bonds4

About (2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone

(2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone (PubChem CID 27138490) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone.

Molecular Properties

Compound Name(2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone
PubChem CID27138490
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name(2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone
SMILESN/N=C(\C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N3O3/c15-16-13(14(18)11-4-2-1-3-5-11)10-6-8-12(9-7-10)17(19)20/h1-9H,15H2/b16-13-
InChIKeyFYFPDRZWLPWODV-SSZFMOIBSA-N
XLogP2.14
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone
CID 86222058
1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone
CID 173282909
2-(4-chlorophenyl)-2-hydrazinylidene-1-phenylethanone
CID 154386910
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
carbamodithioic acid;(4-nitrophenyl)-phenylmethanone
CID 174955967
methanediimine;bis((4-nitrophenyl)-phenylmethanone)
CID 174915149
carbamic acid;nitrobenzene
CID 66874578
nitrobenzene;urea
CID 22364416
(2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 135775343

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone?
The IUPAC name of (2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone (CID 27138490) is (2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone.
What is the SMILES notation for (2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone?
The canonical SMILES for (2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone is N/N=C(\C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone?
The InChIKey is FYFPDRZWLPWODV-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H11N3O3/c15-16-13(14(18)11-4-2-1-3-5-11)10-6-8-12(9-7-10)17(19)20/h1-9H,15H2/b16-13-.
What are the key properties of (2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone?
(2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone has a molecular weight of 269.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone is sourced from PubChem (CID 27138490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).