(2,4-dinitrophenyl)hydrazine;propan-2-one

C9H12N4O5 — CID 162068337

IUPAC(2,4-dinitrophenyl)hydrazine;propan-2-one
SMILESCC(C)=O.NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C6H6N4O4.C3H6O/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;1-3(2)4/h1-3,8H,7H2;1-2H3
InChIKeyZASYXXGNNSUIBS-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.38
Rot. Bonds3

About (2,4-dinitrophenyl)hydrazine;propan-2-one

(2,4-dinitrophenyl)hydrazine;propan-2-one (PubChem CID 162068337) has the molecular formula C9H12N4O5 and a molecular weight of 256.22 g/mol. Its IUPAC name is (2,4-dinitrophenyl)hydrazine;propan-2-one.

Molecular Properties

Compound Name(2,4-dinitrophenyl)hydrazine;propan-2-one
PubChem CID162068337
Molecular FormulaC9H12N4O5
Molecular Weight256.22 g/mol
Exact Mass256.08
IUPAC Name(2,4-dinitrophenyl)hydrazine;propan-2-one
SMILESCC(C)=O.NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C6H6N4O4.C3H6O/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;1-3(2)4/h1-3,8H,7H2;1-2H3
InChIKeyZASYXXGNNSUIBS-UHFFFAOYSA-N
XLogP1.38
TPSA141.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
(2,4-dinitrophenyl)carbamic acid
CID 154114547
(2,4-dinitroanilino) 2-methylpropanoate
CID 19598617
2-(2,4-dinitroanilino)acetate
CID 4738135
2-hydrazinyl-5-nitroaniline
CID 130769325
methyl 2-(2,4-dinitroanilino)-2-oxoacetate
CID 5251417
2-(2,4-dinitroanilino)-3-methylbutanamide
CID 103801571
N'-(2,4-dinitrophenyl)methanediamine
CID 23597616
1-(2,4-dinitrophenyl)-3-nitrourea
CID 12548690
1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine
CID 78954587
(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
CID 171042675

Frequently Asked Questions

What is the IUPAC name of (2,4-dinitrophenyl)hydrazine;propan-2-one?
The IUPAC name of (2,4-dinitrophenyl)hydrazine;propan-2-one (CID 162068337) is (2,4-dinitrophenyl)hydrazine;propan-2-one.
What is the SMILES notation for (2,4-dinitrophenyl)hydrazine;propan-2-one?
The canonical SMILES for (2,4-dinitrophenyl)hydrazine;propan-2-one is CC(C)=O.NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of (2,4-dinitrophenyl)hydrazine;propan-2-one?
The InChIKey is ZASYXXGNNSUIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O4.C3H6O/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;1-3(2)4/h1-3,8H,7H2;1-2H3.
What are the key properties of (2,4-dinitrophenyl)hydrazine;propan-2-one?
(2,4-dinitrophenyl)hydrazine;propan-2-one has a molecular weight of 256.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dinitrophenyl)hydrazine;propan-2-one is sourced from PubChem (CID 162068337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).