N-(2,4-dinitrophenyl)butanehydrazide

C10H12N4O5 — CID 132775513

IUPACN-(2,4-dinitrophenyl)butanehydrazide
SMILESCCCC(=O)N(N)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O5/c1-2-3-10(15)12(11)8-5-4-7(13(16)17)6-9(8)14(18)19/h4-6H,2-3,11H2,1H3
InChIKeyRYBYMVUYQMJXCV-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.51
Rot. Bonds5

About N-(2,4-dinitrophenyl)butanehydrazide

N-(2,4-dinitrophenyl)butanehydrazide (PubChem CID 132775513) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is N-(2,4-dinitrophenyl)butanehydrazide.

Molecular Properties

Compound NameN-(2,4-dinitrophenyl)butanehydrazide
PubChem CID132775513
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC NameN-(2,4-dinitrophenyl)butanehydrazide
SMILESCCCC(=O)N(N)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O5/c1-2-3-10(15)12(11)8-5-4-7(13(16)17)6-9(8)14(18)19/h4-6H,2-3,11H2,1H3
InChIKeyRYBYMVUYQMJXCV-UHFFFAOYSA-N
XLogP1.51
TPSA132.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

2-(N-methyl-2,4-dinitroanilino)acetate
CID 7099160
N,N-dibutyl-2,4-dinitroaniline
CID 15758071
2-(2,4-dinitro-N-propylanilino)ethanol
CID 61425574
(2,4-dinitrophenyl)-methylcarbamic acid
CID 163792600
N-[(4-nitrophenyl)methyl]butanehydrazide
CID 178067833
butanoic acid;2,4-dinitrophenol
CID 175085952
N',N'-bis(2,4-dinitrophenyl)oxamide
CID 53437177
N-(2-methoxy-5-nitrophenyl)propanehydrazide
CID 71146725
N-ethyl-2,4-dinitro-N-propylaniline;yttrium
CID 59325886
ethyl 3-[2,4-dinitro-N-(pyridin-3-ylmethyl)anilino]propanoate
CID 71914572
N-methyl-N-(3-nitrophenyl)butanamide
CID 12033690
1-(2,4-dinitrophenyl)propan-1-one
CID 606980

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dinitrophenyl)butanehydrazide?
The IUPAC name of N-(2,4-dinitrophenyl)butanehydrazide (CID 132775513) is N-(2,4-dinitrophenyl)butanehydrazide.
What is the SMILES notation for N-(2,4-dinitrophenyl)butanehydrazide?
The canonical SMILES for N-(2,4-dinitrophenyl)butanehydrazide is CCCC(=O)N(N)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-(2,4-dinitrophenyl)butanehydrazide?
The InChIKey is RYBYMVUYQMJXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5/c1-2-3-10(15)12(11)8-5-4-7(13(16)17)6-9(8)14(18)19/h4-6H,2-3,11H2,1H3.
What are the key properties of N-(2,4-dinitrophenyl)butanehydrazide?
N-(2,4-dinitrophenyl)butanehydrazide has a molecular weight of 268.23 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dinitrophenyl)butanehydrazide is sourced from PubChem (CID 132775513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).