3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

C12H13NO6 — CID 72926726

IUPAC3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCOc1coc(CN2C(=O)OC(C)(C)C2=O)cc1=O
InChIInChI=1S/C12H13NO6/c1-12(2)10(15)13(11(16)19-12)5-7-4-8(14)9(17-3)6-18-7/h4,6H,5H2,1-3H3
InChIKeyURTJIVGCGUMEBQ-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.91
Rot. Bonds3

About 3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione (PubChem CID 72926726) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
PubChem CID72926726
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Name3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCOc1coc(CN2C(=O)OC(C)(C)C2=O)cc1=O
InChIInChI=1S/C12H13NO6/c1-12(2)10(15)13(11(16)19-12)5-7-4-8(14)9(17-3)6-18-7/h4,6H,5H2,1-3H3
InChIKeyURTJIVGCGUMEBQ-UHFFFAOYSA-N
XLogP0.91
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione (CID 72926726) is 3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione is COc1coc(CN2C(=O)OC(C)(C)C2=O)cc1=O.
What is the InChIKey of 3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is URTJIVGCGUMEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO6/c1-12(2)10(15)13(11(16)19-12)5-7-4-8(14)9(17-3)6-18-7/h4,6H,5H2,1-3H3.
What are the key properties of 3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 267.24 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 72926726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).