carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione

C9H10N2O7 — CID 52987775

IUPACcarbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
SMILESO=C(O)O.O=C1CCC(=O)N1N1C(=O)CCC1=O
InChIInChI=1S/C8H8N2O4.CH2O3/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14;2-1(3)4/h1-4H2;(H2,2,3,4)
InChIKeyOPCDNDSFCPOFSR-UHFFFAOYSA-N
MW258.19 g/mol
LogP-0.58
Rot. Bonds1

About carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione

carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 52987775) has the molecular formula C9H10N2O7 and a molecular weight of 258.19 g/mol. Its IUPAC name is carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Namecarbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
PubChem CID52987775
Molecular FormulaC9H10N2O7
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Namecarbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
SMILESO=C(O)O.O=C1CCC(=O)N1N1C(=O)CCC1=O
InChIInChI=1S/C8H8N2O4.CH2O3/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14;2-1(3)4/h1-4H2;(H2,2,3,4)
InChIKeyOPCDNDSFCPOFSR-UHFFFAOYSA-N
XLogP-0.58
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
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 carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione (CID 52987775) is carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione is O=C(O)O.O=C1CCC(=O)N1N1C(=O)CCC1=O.
What is the InChIKey of carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is OPCDNDSFCPOFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4.CH2O3/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14;2-1(3)4/h1-4H2;(H2,2,3,4).
What are the key properties of carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione?
carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 258.19 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 52987775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).