5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid

C8H11NO3 — CID 123285417

IUPAC5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid
SMILES[H]/N=C/C1OC(C=C)CC1C(=O)O
InChIInChI=1S/C8H11NO3/c1-2-5-3-6(8(10)11)7(4-9)12-5/h2,4-7,9H,1,3H2,(H,10,11)/b9-4+
InChIKeyMAFJYYQOMQXHHL-RUDMXATFSA-N
MW169.18 g/mol
LogP0.68
Rot. Bonds3

About 5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid

5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid (PubChem CID 123285417) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid
PubChem CID123285417
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid
SMILES[H]/N=C/C1OC(C=C)CC1C(=O)O
InChIInChI=1S/C8H11NO3/c1-2-5-3-6(8(10)11)7(4-9)12-5/h2,4-7,9H,1,3H2,(H,10,11)/b9-4+
InChIKeyMAFJYYQOMQXHHL-RUDMXATFSA-N
XLogP0.68
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid?
The IUPAC name of 5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid (CID 123285417) is 5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid.
What is the SMILES notation for 5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid?
The canonical SMILES for 5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid is [H]/N=C/C1OC(C=C)CC1C(=O)O.
What is the InChIKey of 5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid?
The InChIKey is MAFJYYQOMQXHHL-RUDMXATFSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-5-3-6(8(10)11)7(4-9)12-5/h2,4-7,9H,1,3H2,(H,10,11)/b9-4+.
What are the key properties of 5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid?
5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methanimidoyloxolane-3-carboxylic acid is sourced from PubChem (CID 123285417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).