(2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate

C11H9NO6 — CID 165352900

IUPAC(2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate
SMILESCCOC(=O)Oc1ccc2oc(=O)[nH]c(=O)c2c1
InChIInChI=1S/C11H9NO6/c1-2-16-11(15)17-6-3-4-8-7(5-6)9(13)12-10(14)18-8/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyOFZDKZWOPOFMIC-UHFFFAOYSA-N
MW251.19 g/mol
LogP1.02
Rot. Bonds2

About (2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate

(2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate (PubChem CID 165352900) has the molecular formula C11H9NO6 and a molecular weight of 251.19 g/mol. Its IUPAC name is (2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate.

Molecular Properties

Compound Name(2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate
PubChem CID165352900
Molecular FormulaC11H9NO6
Molecular Weight251.19 g/mol
Exact Mass251.04
IUPAC Name(2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate
SMILESCCOC(=O)Oc1ccc2oc(=O)[nH]c(=O)c2c1
InChIInChI=1S/C11H9NO6/c1-2-16-11(15)17-6-3-4-8-7(5-6)9(13)12-10(14)18-8/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyOFZDKZWOPOFMIC-UHFFFAOYSA-N
XLogP1.02
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate?
The IUPAC name of (2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate (CID 165352900) is (2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate.
What is the SMILES notation for (2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate?
The canonical SMILES for (2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate is CCOC(=O)Oc1ccc2oc(=O)[nH]c(=O)c2c1.
What is the InChIKey of (2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate?
The InChIKey is OFZDKZWOPOFMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO6/c1-2-16-11(15)17-6-3-4-8-7(5-6)9(13)12-10(14)18-8/h3-5H,2H2,1H3,(H,12,13,14).
What are the key properties of (2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate?
(2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate has a molecular weight of 251.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate is sourced from PubChem (CID 165352900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).