(2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone

C10H11N3O3 — CID 6433899

IUPAC(2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone
SMILESCN(C)/N=C\C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N3O3/c1-12(2)11-7-10(14)8-3-5-9(6-4-8)13(15)16/h3-7H,1-2H3/b11-7-
InChIKeyXCXOXKAHWNKLJY-XFFZJAGNSA-N
MW221.22 g/mol
LogP1.32
Rot. Bonds4

About (2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone

(2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone (PubChem CID 6433899) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is (2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name(2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone
PubChem CID6433899
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name(2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone
SMILESCN(C)/N=C\C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N3O3/c1-12(2)11-7-10(14)8-3-5-9(6-4-8)13(15)16/h3-7H,1-2H3/b11-7-
InChIKeyXCXOXKAHWNKLJY-XFFZJAGNSA-N
XLogP1.32
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
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

[(E,4Z)-4-(dimethylhydrazinylidene)-2-(4-nitrophenyl)but-2-enyl]-dimethylazanium
CID 102052839
(E)-4-(dimethylamino)-3-(4-nitrophenyl)but-3-en-2-one
CID 122509352
methyl (E)-4-(4-nitrophenyl)-4-oxobut-2-enoate
CID 50998306
ethane;1-(4-nitrophenyl)ethanone
CID 172597016
(E)-4-methyl-4-nitro-1-(4-nitrophenyl)pent-2-en-1-one
CID 134985027
4-nitrobenzoic acid;trimethylsilane
CID 175438853
N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide
CID 66185464
(Z)-3-(4-nitroanilino)-1-(4-nitrophenyl)prop-2-en-1-one
CID 164677849
4-nitrobenzoate;vanadium
CID 172712620
methyl 3-(dimethylamino)-2-(4-nitrophenyl)prop-2-enoate
CID 68807753
Se-(4-nitrophenyl) carbamoselenoate
CID 122395813
(E)-3-(dimethylamino)-2-(4-nitrophenyl)prop-2-enenitrile
CID 87544394

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone?
The IUPAC name of (2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone (CID 6433899) is (2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone.
What is the SMILES notation for (2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone?
The canonical SMILES for (2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone is CN(C)/N=C\C(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone?
The InChIKey is XCXOXKAHWNKLJY-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-12(2)11-7-10(14)8-3-5-9(6-4-8)13(15)16/h3-7H,1-2H3/b11-7-.
What are the key properties of (2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone?
(2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone has a molecular weight of 221.22 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(dimethylhydrazinylidene)-1-(4-nitrophenyl)ethanone is sourced from PubChem (CID 6433899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).