(2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate

C11H10N2O8 — CID 159138690

IUPAC(2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate
SMILESO=C(OCC(=O)N1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H10N2O8/c14-6-1-2-7(15)12(6)10(18)5-20-11(19)21-13-8(16)3-4-9(13)17/h1-5H2
InChIKeyVGAYAFVYLJWAFP-UHFFFAOYSA-N
MW298.21 g/mol
LogP-1.12
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate

(2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate (PubChem CID 159138690) has the molecular formula C11H10N2O8 and a molecular weight of 298.21 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate
PubChem CID159138690
Molecular FormulaC11H10N2O8
Molecular Weight298.21 g/mol
Exact Mass298.04
IUPAC Name(2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate
SMILESO=C(OCC(=O)N1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H10N2O8/c14-6-1-2-7(15)12(6)10(18)5-20-11(19)21-13-8(16)3-4-9(13)17/h1-5H2
InChIKeyVGAYAFVYLJWAFP-UHFFFAOYSA-N
XLogP-1.12
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyldisulfanyl]methyl carbonate
CID 90051305
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethylsulfinyl]ethyl carbonate
CID 175094231
2-cyanoethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 10632308
cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 87384668
2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate
CID 102051298
3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-methylpropanoate
CID 87715576
(2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate
CID 169105698
[(Z)-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-3-methoxybut-2-en-2-yl] formate;ethane
CID 145243926
(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate
CID 15927737

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate (CID 159138690) is (2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate is O=C(OCC(=O)N1C(=O)CCC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate?
The InChIKey is VGAYAFVYLJWAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O8/c14-6-1-2-7(15)12(6)10(18)5-20-11(19)21-13-8(16)3-4-9(13)17/h1-5H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate?
(2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate has a molecular weight of 298.21 g/mol, XLogP of -1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate is sourced from PubChem (CID 159138690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).