ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate

C9H11NO5 — CID 565865

IUPACethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate
SMILESCCOC(=O)c1c(C)c(=O)oc(=O)n1C
InChIInChI=1S/C9H11NO5/c1-4-14-8(12)6-5(2)7(11)15-9(13)10(6)3/h4H2,1-3H3
InChIKeyYQLWYBIDDIBTKV-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.18
Rot. Bonds2

About ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate

ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate (PubChem CID 565865) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate
PubChem CID565865
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Nameethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate
SMILESCCOC(=O)c1c(C)c(=O)oc(=O)n1C
InChIInChI=1S/C9H11NO5/c1-4-14-8(12)6-5(2)7(11)15-9(13)10(6)3/h4H2,1-3H3
InChIKeyYQLWYBIDDIBTKV-UHFFFAOYSA-N
XLogP-0.18
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 102243362
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CID 607270
ethyl 2-(4,5-dimethyl-2,6-dioxo-1,3-oxazin-3-yl)acetate
CID 58891637
ethyl 1,3,5-trimethyl-4-(methylcarbamoyl)pyrrole-2-carboxylate
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CID 90852450
ethane;ethyl 1,3,5-trimethylpyrrole-2-carboxylate
CID 155705747
ethyl 4-(3,5-dibromobenzoyl)-1,3,5-trimethylpyrrole-2-carboxylate
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ethyl 4-methoxy-1,2-dimethyl-5-oxopyrazole-3-carboxylate
CID 22937876
2,5-bis(ethoxycarbonyl)furan-3,4-diolate
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CID 43953928

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate (CID 565865) is ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate is CCOC(=O)c1c(C)c(=O)oc(=O)n1C.
What is the InChIKey of ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate?
The InChIKey is YQLWYBIDDIBTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-4-14-8(12)6-5(2)7(11)15-9(13)10(6)3/h4H2,1-3H3.
What are the key properties of ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate?
ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate has a molecular weight of 213.19 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate is sourced from PubChem (CID 565865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).