(2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene

C11H12N4O4 — CID 15129640

IUPAC(2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene
SMILESC=CC(C)(C)/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O4/c1-4-11(2,3)13-12-9-6-5-8(14(16)17)7-10(9)15(18)19/h4-7H,1H2,2-3H3/b13-12+
InChIKeyNHAKUVAZTKWVIX-OUKQBFOZSA-N
MW264.24 g/mol
LogP3.55
Rot. Bonds5

About (2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene

(2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene (PubChem CID 15129640) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is (2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene.

Molecular Properties

Compound Name(2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene
PubChem CID15129640
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name(2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene
SMILESC=CC(C)(C)/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O4/c1-4-11(2,3)13-12-9-6-5-8(14(16)17)7-10(9)15(18)19/h4-7H,1H2,2-3H3/b13-12+
InChIKeyNHAKUVAZTKWVIX-OUKQBFOZSA-N
XLogP3.55
TPSA111.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

2,3-dimethylbuta-1,3-dienyl-(2,4-dinitrophenyl)diazene
CID 131880074
(2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene
CID 15129643
prop-2-enyl (E)-3-[(2,4-dinitrophenyl)diazenyl]-2-methylbut-2-enoate
CID 102293103
N'-(2,4-dinitrophenyl)methanimidamide
CID 89273511
4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
CID 136728959
(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene
CID 102292228
2-(2,4-dinitrophenyl)iminopropanoic acid
CID 71372052
methyl 3-[(2,4-dinitrophenyl)diazenyl]butanoate
CID 91435409
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071
4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol
CID 3094136
N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine
CID 10869482
methyl (E)-2-[(2,4-dinitrophenyl)diazenyl]-3-hydroxy-3-phenylprop-2-enoate
CID 135404772

Frequently Asked Questions

What is the IUPAC name of (2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene?
The IUPAC name of (2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene (CID 15129640) is (2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene.
What is the SMILES notation for (2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene?
The canonical SMILES for (2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene is C=CC(C)(C)/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of (2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene?
The InChIKey is NHAKUVAZTKWVIX-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-4-11(2,3)13-12-9-6-5-8(14(16)17)7-10(9)15(18)19/h4-7H,1H2,2-3H3/b13-12+.
What are the key properties of (2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene?
(2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene has a molecular weight of 264.24 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene is sourced from PubChem (CID 15129640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).