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

C11H11N3O5 — CID 151567314

IUPAC1-[1-(2,5-dioxopyrrolidin-1-yl)oxypropan-2-ylideneamino]pyrrole-2,5-dione
SMILESCC(CON1C(=O)CCC1=O)=NN1C(=O)C=CC1=O
InChIInChI=1S/C11H11N3O5/c1-7(12-13-8(15)2-3-9(13)16)6-19-14-10(17)4-5-11(14)18/h2-3H,4-6H2,1H3
InChIKeyQDRSRSDMNDQNDV-UHFFFAOYSA-N
MW265.22 g/mol
LogP-0.63
Rot. Bonds4

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

1-[1-(2,5-dioxopyrrolidin-1-yl)oxypropan-2-ylideneamino]pyrrole-2,5-dione (PubChem CID 151567314) has the molecular formula C11H11N3O5 and a molecular weight of 265.22 g/mol. Its IUPAC name is 1-[1-(2,5-dioxopyrrolidin-1-yl)oxypropan-2-ylideneamino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,5-dioxopyrrolidin-1-yl)oxypropan-2-ylideneamino]pyrrole-2,5-dione
PubChem CID151567314
Molecular FormulaC11H11N3O5
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC Name1-[1-(2,5-dioxopyrrolidin-1-yl)oxypropan-2-ylideneamino]pyrrole-2,5-dione
SMILESCC(CON1C(=O)CCC1=O)=NN1C(=O)C=CC1=O
InChIInChI=1S/C11H11N3O5/c1-7(12-13-8(15)2-3-9(13)16)6-19-14-10(17)4-5-11(14)18/h2-3H,4-6H2,1H3
InChIKeyQDRSRSDMNDQNDV-UHFFFAOYSA-N
XLogP-0.63
TPSA96.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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)oxypropan-2-ylideneamino]pyrrole-2,5-dione?
The IUPAC name of 1-[1-(2,5-dioxopyrrolidin-1-yl)oxypropan-2-ylideneamino]pyrrole-2,5-dione (CID 151567314) is 1-[1-(2,5-dioxopyrrolidin-1-yl)oxypropan-2-ylideneamino]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-(2,5-dioxopyrrolidin-1-yl)oxypropan-2-ylideneamino]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-(2,5-dioxopyrrolidin-1-yl)oxypropan-2-ylideneamino]pyrrole-2,5-dione is CC(CON1C(=O)CCC1=O)=NN1C(=O)C=CC1=O.
What is the InChIKey of 1-[1-(2,5-dioxopyrrolidin-1-yl)oxypropan-2-ylideneamino]pyrrole-2,5-dione?
The InChIKey is QDRSRSDMNDQNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5/c1-7(12-13-8(15)2-3-9(13)16)6-19-14-10(17)4-5-11(14)18/h2-3H,4-6H2,1H3.
What are the key properties of 1-[1-(2,5-dioxopyrrolidin-1-yl)oxypropan-2-ylideneamino]pyrrole-2,5-dione?
1-[1-(2,5-dioxopyrrolidin-1-yl)oxypropan-2-ylideneamino]pyrrole-2,5-dione has a molecular weight of 265.22 g/mol, XLogP of -0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dioxopyrrolidin-1-yl)oxypropan-2-ylideneamino]pyrrole-2,5-dione is sourced from PubChem (CID 151567314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).