methyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate

C13H15NO5 — CID 70943651

IUPACmethyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
SMILESCOC(=O)c1ncc(C(C)=O)c2c1OC(C)(C)OC2
InChIInChI=1S/C13H15NO5/c1-7(15)8-5-14-10(12(16)17-4)11-9(8)6-18-13(2,3)19-11/h5H,6H2,1-4H3
InChIKeySYCZWBRZWGSVGK-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.72
Rot. Bonds2

About methyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate

methyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate (PubChem CID 70943651) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is methyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
PubChem CID70943651
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namemethyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
SMILESCOC(=O)c1ncc(C(C)=O)c2c1OC(C)(C)OC2
InChIInChI=1S/C13H15NO5/c1-7(15)8-5-14-10(12(16)17-4)11-9(8)6-18-13(2,3)19-11/h5H,6H2,1-4H3
InChIKeySYCZWBRZWGSVGK-UHFFFAOYSA-N
XLogP1.72
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate?
The IUPAC name of methyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate (CID 70943651) is methyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate?
The canonical SMILES for methyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate is COC(=O)c1ncc(C(C)=O)c2c1OC(C)(C)OC2.
What is the InChIKey of methyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate?
The InChIKey is SYCZWBRZWGSVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-7(15)8-5-14-10(12(16)17-4)11-9(8)6-18-13(2,3)19-11/h5H,6H2,1-4H3.
What are the key properties of methyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate?
methyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate has a molecular weight of 265.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate is sourced from PubChem (CID 70943651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).