[2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate

C15H24N2O4 — CID 57087218

IUPAC[2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate
SMILESCC(=O)OC1CCCCC1=NNC1CCCCC1OC=O
InChIInChI=1S/C15H24N2O4/c1-11(19)21-15-9-5-3-7-13(15)17-16-12-6-2-4-8-14(12)20-10-18/h10,12,14-16H,2-9H2,1H3
InChIKeyUWJLJVXLJUCTGR-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.92
Rot. Bonds5

About [2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate

[2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate (PubChem CID 57087218) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is [2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate.

Molecular Properties

Compound Name[2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate
PubChem CID57087218
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name[2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate
SMILESCC(=O)OC1CCCCC1=NNC1CCCCC1OC=O
InChIInChI=1S/C15H24N2O4/c1-11(19)21-15-9-5-3-7-13(15)17-16-12-6-2-4-8-14(12)20-10-18/h10,12,14-16H,2-9H2,1H3
InChIKeyUWJLJVXLJUCTGR-UHFFFAOYSA-N
XLogP1.92
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate 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 [2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate?
The IUPAC name of [2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate (CID 57087218) is [2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate.
What is the SMILES notation for [2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate?
The canonical SMILES for [2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate is CC(=O)OC1CCCCC1=NNC1CCCCC1OC=O.
What is the InChIKey of [2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate?
The InChIKey is UWJLJVXLJUCTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(19)21-15-9-5-3-7-13(15)17-16-12-6-2-4-8-14(12)20-10-18/h10,12,14-16H,2-9H2,1H3.
What are the key properties of [2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate?
[2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate has a molecular weight of 296.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-formyloxycyclohexyl)hydrazinylidene]cyclohexyl] acetate is sourced from PubChem (CID 57087218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).