cyclohexa-2,4-diene-1,2-dicarbohydrazide

C8H12N4O2 — CID 141146166

IUPACcyclohexa-2,4-diene-1,2-dicarbohydrazide
SMILESNNC(=O)C1=CC=CCC1C(=O)NN
InChIInChI=1S/C8H12N4O2/c9-11-7(13)5-3-1-2-4-6(5)8(14)12-10/h1-3,6H,4,9-10H2,(H,11,13)(H,12,14)
InChIKeyJWSRNPUGHVWDKC-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.53
Rot. Bonds2

About cyclohexa-2,4-diene-1,2-dicarbohydrazide

cyclohexa-2,4-diene-1,2-dicarbohydrazide (PubChem CID 141146166) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is cyclohexa-2,4-diene-1,2-dicarbohydrazide.

Molecular Properties

Compound Namecyclohexa-2,4-diene-1,2-dicarbohydrazide
PubChem CID141146166
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Namecyclohexa-2,4-diene-1,2-dicarbohydrazide
SMILESNNC(=O)C1=CC=CCC1C(=O)NN
InChIInChI=1S/C8H12N4O2/c9-11-7(13)5-3-1-2-4-6(5)8(14)12-10/h1-3,6H,4,9-10H2,(H,11,13)(H,12,14)
InChIKeyJWSRNPUGHVWDKC-UHFFFAOYSA-N
XLogP-1.53
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 cyclohexa-2,4-diene-1,2-dicarbohydrazide?
The IUPAC name of cyclohexa-2,4-diene-1,2-dicarbohydrazide (CID 141146166) is cyclohexa-2,4-diene-1,2-dicarbohydrazide.
What is the SMILES notation for cyclohexa-2,4-diene-1,2-dicarbohydrazide?
The canonical SMILES for cyclohexa-2,4-diene-1,2-dicarbohydrazide is NNC(=O)C1=CC=CCC1C(=O)NN.
What is the InChIKey of cyclohexa-2,4-diene-1,2-dicarbohydrazide?
The InChIKey is JWSRNPUGHVWDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-11-7(13)5-3-1-2-4-6(5)8(14)12-10/h1-3,6H,4,9-10H2,(H,11,13)(H,12,14).
What are the key properties of cyclohexa-2,4-diene-1,2-dicarbohydrazide?
cyclohexa-2,4-diene-1,2-dicarbohydrazide has a molecular weight of 196.21 g/mol, XLogP of -1.53, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-diene-1,2-dicarbohydrazide is sourced from PubChem (CID 141146166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).