ethyl 1,4-oxazine-4-carboxylate

C7H9NO3 — CID 141135920

IUPACethyl 1,4-oxazine-4-carboxylate
SMILESCCOC(=O)N1C=COC=C1
InChIInChI=1S/C7H9NO3/c1-2-11-7(9)8-3-5-10-6-4-8/h3-6H,2H2,1H3
InChIKeyGXPJRMATGIQMTR-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.42
Rot. Bonds1

About ethyl 1,4-oxazine-4-carboxylate

ethyl 1,4-oxazine-4-carboxylate (PubChem CID 141135920) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is ethyl 1,4-oxazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-oxazine-4-carboxylate
PubChem CID141135920
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Nameethyl 1,4-oxazine-4-carboxylate
SMILESCCOC(=O)N1C=COC=C1
InChIInChI=1S/C7H9NO3/c1-2-11-7(9)8-3-5-10-6-4-8/h3-6H,2H2,1H3
InChIKeyGXPJRMATGIQMTR-UHFFFAOYSA-N
XLogP1.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-oxazine-4-carboxylate?
The IUPAC name of ethyl 1,4-oxazine-4-carboxylate (CID 141135920) is ethyl 1,4-oxazine-4-carboxylate.
What is the SMILES notation for ethyl 1,4-oxazine-4-carboxylate?
The canonical SMILES for ethyl 1,4-oxazine-4-carboxylate is CCOC(=O)N1C=COC=C1.
What is the InChIKey of ethyl 1,4-oxazine-4-carboxylate?
The InChIKey is GXPJRMATGIQMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-11-7(9)8-3-5-10-6-4-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 1,4-oxazine-4-carboxylate?
ethyl 1,4-oxazine-4-carboxylate has a molecular weight of 155.15 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-oxazine-4-carboxylate is sourced from PubChem (CID 141135920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).