(1,3-dioxoisoindol-2-yl) ethyl carbonate

C11H9NO5 — CID 828043

IUPAC(1,3-dioxoisoindol-2-yl) ethyl carbonate
SMILESCCOC(=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO5/c1-2-16-11(15)17-12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6H,2H2,1H3
InChIKeyVXEAWVMTERBHFX-UHFFFAOYSA-N
MW235.19 g/mol
LogP1.37
Rot. Bonds2

About (1,3-dioxoisoindol-2-yl) ethyl carbonate

(1,3-dioxoisoindol-2-yl) ethyl carbonate (PubChem CID 828043) has the molecular formula C11H9NO5 and a molecular weight of 235.19 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) ethyl carbonate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) ethyl carbonate
PubChem CID828043
Molecular FormulaC11H9NO5
Molecular Weight235.19 g/mol
Exact Mass235.05
IUPAC Name(1,3-dioxoisoindol-2-yl) ethyl carbonate
SMILESCCOC(=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO5/c1-2-16-11(15)17-12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6H,2H2,1H3
InChIKeyVXEAWVMTERBHFX-UHFFFAOYSA-N
XLogP1.37
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) ethyl carbonate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) ethyl carbonate (CID 828043) is (1,3-dioxoisoindol-2-yl) ethyl carbonate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) ethyl carbonate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) ethyl carbonate is CCOC(=O)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) ethyl carbonate?
The InChIKey is VXEAWVMTERBHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5/c1-2-16-11(15)17-12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6H,2H2,1H3.
What are the key properties of (1,3-dioxoisoindol-2-yl) ethyl carbonate?
(1,3-dioxoisoindol-2-yl) ethyl carbonate has a molecular weight of 235.19 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) ethyl carbonate is sourced from PubChem (CID 828043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).