5-hydrazinylidenecyclohex-2-ene-1,4-dione

C6H6N2O2 — CID 70636657

IUPAC5-hydrazinylidenecyclohex-2-ene-1,4-dione
SMILESNN=C1CC(=O)C=CC1=O
InChIInChI=1S/C6H6N2O2/c7-8-5-3-4(9)1-2-6(5)10/h1-2H,3,7H2
InChIKeyLLXDSSFVHNNHJG-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.60
Rot. Bonds

About 5-hydrazinylidenecyclohex-2-ene-1,4-dione

5-hydrazinylidenecyclohex-2-ene-1,4-dione (PubChem CID 70636657) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 5-hydrazinylidenecyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name5-hydrazinylidenecyclohex-2-ene-1,4-dione
PubChem CID70636657
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name5-hydrazinylidenecyclohex-2-ene-1,4-dione
SMILESNN=C1CC(=O)C=CC1=O
InChIInChI=1S/C6H6N2O2/c7-8-5-3-4(9)1-2-6(5)10/h1-2H,3,7H2
InChIKeyLLXDSSFVHNNHJG-UHFFFAOYSA-N
XLogP-0.60
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 5-hydrazinylidenecyclohex-2-ene-1,4-dione?
The IUPAC name of 5-hydrazinylidenecyclohex-2-ene-1,4-dione (CID 70636657) is 5-hydrazinylidenecyclohex-2-ene-1,4-dione.
What is the SMILES notation for 5-hydrazinylidenecyclohex-2-ene-1,4-dione?
The canonical SMILES for 5-hydrazinylidenecyclohex-2-ene-1,4-dione is NN=C1CC(=O)C=CC1=O.
What is the InChIKey of 5-hydrazinylidenecyclohex-2-ene-1,4-dione?
The InChIKey is LLXDSSFVHNNHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c7-8-5-3-4(9)1-2-6(5)10/h1-2H,3,7H2.
What are the key properties of 5-hydrazinylidenecyclohex-2-ene-1,4-dione?
5-hydrazinylidenecyclohex-2-ene-1,4-dione has a molecular weight of 138.13 g/mol, XLogP of -0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinylidenecyclohex-2-ene-1,4-dione is sourced from PubChem (CID 70636657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).