1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine

C8H7N7O8 — CID 139593827

IUPAC1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine
SMILESNC(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C([N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C8H7N7O8/c9-7(8(14(20)21)15(22)23)11-10-5-2-1-4(12(16)17)3-6(5)13(18)19/h1-3,10-11H,9H2
InChIKeyHXOLVHFEHNEOLE-UHFFFAOYSA-N
MW329.19 g/mol
LogP0.06
Rot. Bonds7

About 1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine

1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine (PubChem CID 139593827) has the molecular formula C8H7N7O8 and a molecular weight of 329.19 g/mol. Its IUPAC name is 1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine.

Molecular Properties

Compound Name1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine
PubChem CID139593827
Molecular FormulaC8H7N7O8
Molecular Weight329.19 g/mol
Exact Mass329.04
IUPAC Name1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine
SMILESNC(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C([N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C8H7N7O8/c9-7(8(14(20)21)15(22)23)11-10-5-2-1-4(12(16)17)3-6(5)13(18)19/h1-3,10-11H,9H2
InChIKeyHXOLVHFEHNEOLE-UHFFFAOYSA-N
XLogP0.06
TPSA222.64 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.19
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine?
The IUPAC name of 1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine (CID 139593827) is 1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine.
What is the SMILES notation for 1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine?
The canonical SMILES for 1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine is NC(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C([N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of 1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine?
The InChIKey is HXOLVHFEHNEOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7O8/c9-7(8(14(20)21)15(22)23)11-10-5-2-1-4(12(16)17)3-6(5)13(18)19/h1-3,10-11H,9H2.
What are the key properties of 1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine?
1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine has a molecular weight of 329.19 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dinitrophenyl)hydrazinyl]-2,2-dinitroethenamine is sourced from PubChem (CID 139593827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).