(2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine

C6H8N4O4 — CID 177037052

IUPAC(2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine
SMILESNNC1=C([N+](=O)[O-])C=C([N+](=O)[O-])CC1
InChIInChI=1S/C6H8N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h3,8H,1-2,7H2
InChIKeyFWZMZJVCTPOONP-UHFFFAOYSA-N
MW200.15 g/mol
LogP-0.11
Rot. Bonds3

About (2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine

(2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine (PubChem CID 177037052) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is (2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine.

Molecular Properties

Compound Name(2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine
PubChem CID177037052
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name(2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine
SMILESNNC1=C([N+](=O)[O-])C=C([N+](=O)[O-])CC1
InChIInChI=1S/C6H8N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h3,8H,1-2,7H2
InChIKeyFWZMZJVCTPOONP-UHFFFAOYSA-N
XLogP-0.11
TPSA124.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine?
The IUPAC name of (2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine (CID 177037052) is (2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine.
What is the SMILES notation for (2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine?
The canonical SMILES for (2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine is NNC1=C([N+](=O)[O-])C=C([N+](=O)[O-])CC1.
What is the InChIKey of (2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine?
The InChIKey is FWZMZJVCTPOONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h3,8H,1-2,7H2.
What are the key properties of (2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine?
(2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine has a molecular weight of 200.15 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dinitrocyclohexa-1,3-dien-1-yl)hydrazine is sourced from PubChem (CID 177037052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).