(2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate

C9H6N2O7 — CID 134308868

IUPAC(2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate
SMILESO=C(ON1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H6N2O7/c12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h1-2H,3-4H2
InChIKeyXYQRRWNWGWVOFY-UHFFFAOYSA-N
MW254.15 g/mol
LogP-0.96
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate

(2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate (PubChem CID 134308868) has the molecular formula C9H6N2O7 and a molecular weight of 254.15 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate
PubChem CID134308868
Molecular FormulaC9H6N2O7
Molecular Weight254.15 g/mol
Exact Mass254.02
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate
SMILESO=C(ON1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H6N2O7/c12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h1-2H,3-4H2
InChIKeyXYQRRWNWGWVOFY-UHFFFAOYSA-N
XLogP-0.96
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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) (2,5-dioxopyrrol-1-yl) carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate (CID 134308868) is (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate is O=C(ON1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate?
The InChIKey is XYQRRWNWGWVOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O7/c12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h1-2H,3-4H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate?
(2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate has a molecular weight of 254.15 g/mol, XLogP of -0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate is sourced from PubChem (CID 134308868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).