methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate

C10H15NO5 — CID 11183794

IUPACmethyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate
SMILESCCOC1CC(C(=O)OC)=CN(C(C)=O)O1
InChIInChI=1S/C10H15NO5/c1-4-15-9-5-8(10(13)14-3)6-11(16-9)7(2)12/h6,9H,4-5H2,1-3H3
InChIKeyZEGGUCPKYLFXKR-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.59
Rot. Bonds3

About methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate

methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate (PubChem CID 11183794) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate
PubChem CID11183794
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namemethyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate
SMILESCCOC1CC(C(=O)OC)=CN(C(C)=O)O1
InChIInChI=1S/C10H15NO5/c1-4-15-9-5-8(10(13)14-3)6-11(16-9)7(2)12/h6,9H,4-5H2,1-3H3
InChIKeyZEGGUCPKYLFXKR-UHFFFAOYSA-N
XLogP0.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 2-ethoxy-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
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methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate?
The IUPAC name of methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate (CID 11183794) is methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate.
What is the SMILES notation for methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate?
The canonical SMILES for methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate is CCOC1CC(C(=O)OC)=CN(C(C)=O)O1.
What is the InChIKey of methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate?
The InChIKey is ZEGGUCPKYLFXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-4-15-9-5-8(10(13)14-3)6-11(16-9)7(2)12/h6,9H,4-5H2,1-3H3.
What are the key properties of methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate?
methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate has a molecular weight of 229.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate is sourced from PubChem (CID 11183794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).