1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione

C11H10N2O5 — CID 14839830

IUPAC1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione
SMILESCC(C(=O)N1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C11H10N2O5/c1-6(12-7(14)2-3-8(12)15)11(18)13-9(16)4-5-10(13)17/h2-3,6H,4-5H2,1H3
InChIKeyPCHHCRPVOJIXHY-UHFFFAOYSA-N
MW250.21 g/mol
LogP-1.02
Rot. Bonds2

About 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione

1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione (PubChem CID 14839830) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione
PubChem CID14839830
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione
SMILESCC(C(=O)N1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C11H10N2O5/c1-6(12-7(14)2-3-8(12)15)11(18)13-9(16)4-5-10(13)17/h2-3,6H,4-5H2,1H3
InChIKeyPCHHCRPVOJIXHY-UHFFFAOYSA-N
XLogP-1.02
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-1.02
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 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione (CID 14839830) is 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione is CC(C(=O)N1C(=O)CCC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione?
The InChIKey is PCHHCRPVOJIXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-6(12-7(14)2-3-8(12)15)11(18)13-9(16)4-5-10(13)17/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione?
1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione has a molecular weight of 250.21 g/mol, XLogP of -1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 14839830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).