2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide

C9H16N2O2 — CID 112673121

IUPAC2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide
SMILESNC(=O)CONCC1CC=CCC1
InChIInChI=1S/C9H16N2O2/c10-9(12)7-13-11-6-8-4-2-1-3-5-8/h1-2,8,11H,3-7H2,(H2,10,12)
InChIKeyXZYJQQJAIIGKFB-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.35
Rot. Bonds5

About 2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide

2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide (PubChem CID 112673121) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide
PubChem CID112673121
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide
SMILESNC(=O)CONCC1CC=CCC1
InChIInChI=1S/C9H16N2O2/c10-9(12)7-13-11-6-8-4-2-1-3-5-8/h1-2,8,11H,3-7H2,(H2,10,12)
InChIKeyXZYJQQJAIIGKFB-UHFFFAOYSA-N
XLogP0.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide 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-(cyclohex-3-en-1-ylmethylamino)oxyacetamide?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide (CID 112673121) is 2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide is NC(=O)CONCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide?
The InChIKey is XZYJQQJAIIGKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-9(12)7-13-11-6-8-4-2-1-3-5-8/h1-2,8,11H,3-7H2,(H2,10,12).
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide?
2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide has a molecular weight of 184.24 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)oxyacetamide is sourced from PubChem (CID 112673121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).