(2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate

C13H13NO5 — CID 11139951

IUPAC(2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate
SMILESCc1ccc(COC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C13H13NO5/c1-9-2-4-10(5-3-9)8-18-13(17)19-14-11(15)6-7-12(14)16/h2-5H,6-8H2,1H3
InChIKeyXRRVAYOGHYNCBD-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.71
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate

(2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate (PubChem CID 11139951) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate
PubChem CID11139951
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate
SMILESCc1ccc(COC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C13H13NO5/c1-9-2-4-10(5-3-9)8-18-13(17)19-14-11(15)6-7-12(14)16/h2-5H,6-8H2,1H3
InChIKeyXRRVAYOGHYNCBD-UHFFFAOYSA-N
XLogP1.71
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.71
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 (2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate (CID 11139951) is (2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate is Cc1ccc(COC(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate?
The InChIKey is XRRVAYOGHYNCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-9-2-4-10(5-3-9)8-18-13(17)19-14-11(15)6-7-12(14)16/h2-5H,6-8H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate?
(2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate has a molecular weight of 263.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate is sourced from PubChem (CID 11139951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).