acetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

C9H11NO3 — CID 175034373

IUPACacetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCC(N)=O.COc1cc2ccc1o2
InChIInChI=1S/C7H6O2.C2H5NO/c1-8-7-4-5-2-3-6(7)9-5;1-2(3)4/h2-4H,1H3;1H3,(H2,3,4)
InChIKeyLFAHXMRDZOLCQA-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.37
Rot. Bonds1

About acetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

acetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (PubChem CID 175034373) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is acetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.

Molecular Properties

Compound Nameacetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
PubChem CID175034373
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameacetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCC(N)=O.COc1cc2ccc1o2
InChIInChI=1S/C7H6O2.C2H5NO/c1-8-7-4-5-2-3-6(7)9-5;1-2(3)4/h2-4H,1H3;1H3,(H2,3,4)
InChIKeyLFAHXMRDZOLCQA-UHFFFAOYSA-N
XLogP1.37
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze acetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene 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 acetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The IUPAC name of acetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (CID 175034373) is acetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.
What is the SMILES notation for acetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The canonical SMILES for acetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is CC(N)=O.COc1cc2ccc1o2.
What is the InChIKey of acetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The InChIKey is LFAHXMRDZOLCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C2H5NO/c1-8-7-4-5-2-3-6(7)9-5;1-2(3)4/h2-4H,1H3;1H3,(H2,3,4).
What are the key properties of acetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
acetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene has a molecular weight of 181.19 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is sourced from PubChem (CID 175034373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).