(2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate

C9H10N2O7 — CID 88868762

IUPAC(2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate
SMILESO=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1O
InChIInChI=1S/C9H10N2O7/c12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h5,12H,1-4H2
InChIKeyPREFWHIJLVJBBF-UHFFFAOYSA-N
MW258.19 g/mol
LogP-0.94
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate

(2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate (PubChem CID 88868762) has the molecular formula C9H10N2O7 and a molecular weight of 258.19 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate
PubChem CID88868762
Molecular FormulaC9H10N2O7
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate
SMILESO=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1O
InChIInChI=1S/C9H10N2O7/c12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h5,12H,1-4H2
InChIKeyPREFWHIJLVJBBF-UHFFFAOYSA-N
XLogP-0.94
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[3,5-bis[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]acetate
CID 134502036
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate
CID 156562908
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate
CID 148605388
[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate
CID 155350859
[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate
CID 89325456
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate
CID 166715042
(2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate
CID 153133144
cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 87384668
(2-hydroxy-5-oxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate
CID 129183103
(2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate
CID 146560988
(2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate
CID 178016929

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate (CID 88868762) is (2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate is O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate?
The InChIKey is PREFWHIJLVJBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O7/c12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h5,12H,1-4H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate?
(2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate has a molecular weight of 258.19 g/mol, XLogP of -0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 88868762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).