2-cyclohexylideneacetohydrazide

C8H14N2O — CID 58399084

IUPAC2-cyclohexylideneacetohydrazide
SMILESNNC(=O)C=C1CCCCC1
InChIInChI=1S/C8H14N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h6H,1-5,9H2,(H,10,11)
InChIKeyUWTIMRNBCUAZIQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.87
Rot. Bonds1

About 2-cyclohexylideneacetohydrazide

2-cyclohexylideneacetohydrazide (PubChem CID 58399084) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-cyclohexylideneacetohydrazide.

Molecular Properties

Compound Name2-cyclohexylideneacetohydrazide
PubChem CID58399084
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-cyclohexylideneacetohydrazide
SMILESNNC(=O)C=C1CCCCC1
InChIInChI=1S/C8H14N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h6H,1-5,9H2,(H,10,11)
InChIKeyUWTIMRNBCUAZIQ-UHFFFAOYSA-N
XLogP0.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.87
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': 'Michael_acceptor_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 2-cyclohexylideneacetohydrazide?
The IUPAC name of 2-cyclohexylideneacetohydrazide (CID 58399084) is 2-cyclohexylideneacetohydrazide.
What is the SMILES notation for 2-cyclohexylideneacetohydrazide?
The canonical SMILES for 2-cyclohexylideneacetohydrazide is NNC(=O)C=C1CCCCC1.
What is the InChIKey of 2-cyclohexylideneacetohydrazide?
The InChIKey is UWTIMRNBCUAZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h6H,1-5,9H2,(H,10,11).
What are the key properties of 2-cyclohexylideneacetohydrazide?
2-cyclohexylideneacetohydrazide has a molecular weight of 154.21 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylideneacetohydrazide is sourced from PubChem (CID 58399084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).