[(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate

C10H15NO3 — CID 23659655

IUPAC[(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate
SMILESCC(=O)N[C@H]1CCC=C[C@H]1OC(C)=O
InChIInChI=1S/C10H15NO3/c1-7(12)11-9-5-3-4-6-10(9)14-8(2)13/h4,6,9-10H,3,5H2,1-2H3,(H,11,12)/t9-,10+/m0/s1
InChIKeyODKNJLCAMLPMNV-VHSXEESVSA-N
MW197.23 g/mol
LogP0.77
Rot. Bonds2

About [(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate

[(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate (PubChem CID 23659655) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate
PubChem CID23659655
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate
SMILESCC(=O)N[C@H]1CCC=C[C@H]1OC(C)=O
InChIInChI=1S/C10H15NO3/c1-7(12)11-9-5-3-4-6-10(9)14-8(2)13/h4,6,9-10H,3,5H2,1-2H3,(H,11,12)/t9-,10+/m0/s1
InChIKeyODKNJLCAMLPMNV-VHSXEESVSA-N
XLogP0.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R,6S)-6-acetamidocyclohex-2-en-1-yl] 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 [(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate?
The IUPAC name of [(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate (CID 23659655) is [(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate?
The canonical SMILES for [(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate is CC(=O)N[C@H]1CCC=C[C@H]1OC(C)=O.
What is the InChIKey of [(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate?
The InChIKey is ODKNJLCAMLPMNV-VHSXEESVSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(12)11-9-5-3-4-6-10(9)14-8(2)13/h4,6,9-10H,3,5H2,1-2H3,(H,11,12)/t9-,10+/m0/s1.
What are the key properties of [(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate?
[(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate has a molecular weight of 197.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-6-acetamidocyclohex-2-en-1-yl] acetate is sourced from PubChem (CID 23659655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).