3-cyano-4-cyclohexylbutanehydrazide

C11H19N3O — CID 142496644

IUPAC3-cyano-4-cyclohexylbutanehydrazide
SMILESN#CC(CC(=O)NN)CC1CCCCC1
InChIInChI=1S/C11H19N3O/c12-8-10(7-11(15)14-13)6-9-4-2-1-3-5-9/h9-10H,1-7,13H2,(H,14,15)
InChIKeyNUZQQWMQOSDMAY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.48
Rot. Bonds4

About 3-cyano-4-cyclohexylbutanehydrazide

3-cyano-4-cyclohexylbutanehydrazide (PubChem CID 142496644) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-cyano-4-cyclohexylbutanehydrazide.

Molecular Properties

Compound Name3-cyano-4-cyclohexylbutanehydrazide
PubChem CID142496644
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-cyano-4-cyclohexylbutanehydrazide
SMILESN#CC(CC(=O)NN)CC1CCCCC1
InChIInChI=1S/C11H19N3O/c12-8-10(7-11(15)14-13)6-9-4-2-1-3-5-9/h9-10H,1-7,13H2,(H,14,15)
InChIKeyNUZQQWMQOSDMAY-UHFFFAOYSA-N
XLogP1.48
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 3-cyano-4-cyclohexylbutanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-cyclohexylbutanehydrazide?
The IUPAC name of 3-cyano-4-cyclohexylbutanehydrazide (CID 142496644) is 3-cyano-4-cyclohexylbutanehydrazide.
What is the SMILES notation for 3-cyano-4-cyclohexylbutanehydrazide?
The canonical SMILES for 3-cyano-4-cyclohexylbutanehydrazide is N#CC(CC(=O)NN)CC1CCCCC1.
What is the InChIKey of 3-cyano-4-cyclohexylbutanehydrazide?
The InChIKey is NUZQQWMQOSDMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-8-10(7-11(15)14-13)6-9-4-2-1-3-5-9/h9-10H,1-7,13H2,(H,14,15).
What are the key properties of 3-cyano-4-cyclohexylbutanehydrazide?
3-cyano-4-cyclohexylbutanehydrazide has a molecular weight of 209.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-cyclohexylbutanehydrazide is sourced from PubChem (CID 142496644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).