cyclohexa-1,3-diene-1-carbohydrazide

C7H10N2O — CID 23335485

IUPACcyclohexa-1,3-diene-1-carbohydrazide
SMILESNNC(=O)C1=CC=CCC1
InChIInChI=1S/C7H10N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-2,4H,3,5,8H2,(H,9,10)
InChIKeyGPIWLHPJIHDBTL-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.25
Rot. Bonds1

About cyclohexa-1,3-diene-1-carbohydrazide

cyclohexa-1,3-diene-1-carbohydrazide (PubChem CID 23335485) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is cyclohexa-1,3-diene-1-carbohydrazide.

Molecular Properties

Compound Namecyclohexa-1,3-diene-1-carbohydrazide
PubChem CID23335485
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Namecyclohexa-1,3-diene-1-carbohydrazide
SMILESNNC(=O)C1=CC=CCC1
InChIInChI=1S/C7H10N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-2,4H,3,5,8H2,(H,9,10)
InChIKeyGPIWLHPJIHDBTL-UHFFFAOYSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-1,3-diene-1-carbohydrazide?
The IUPAC name of cyclohexa-1,3-diene-1-carbohydrazide (CID 23335485) is cyclohexa-1,3-diene-1-carbohydrazide.
What is the SMILES notation for cyclohexa-1,3-diene-1-carbohydrazide?
The canonical SMILES for cyclohexa-1,3-diene-1-carbohydrazide is NNC(=O)C1=CC=CCC1.
What is the InChIKey of cyclohexa-1,3-diene-1-carbohydrazide?
The InChIKey is GPIWLHPJIHDBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-2,4H,3,5,8H2,(H,9,10).
What are the key properties of cyclohexa-1,3-diene-1-carbohydrazide?
cyclohexa-1,3-diene-1-carbohydrazide has a molecular weight of 138.17 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene-1-carbohydrazide is sourced from PubChem (CID 23335485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).