1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione

C14H16N2O5 — CID 19013785

IUPAC1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione
SMILESCC(CN1C(=O)C=CC1=O)OC(C)CN1C(=O)C=CC1=O
InChIInChI=1S/C14H16N2O5/c1-9(7-15-11(17)3-4-12(15)18)21-10(2)8-16-13(19)5-6-14(16)20/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGQNJZCAFKPMKSN-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.37
Rot. Bonds6

About 1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione

1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione (PubChem CID 19013785) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione
PubChem CID19013785
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione
SMILESCC(CN1C(=O)C=CC1=O)OC(C)CN1C(=O)C=CC1=O
InChIInChI=1S/C14H16N2O5/c1-9(7-15-11(17)3-4-12(15)18)21-10(2)8-16-13(19)5-6-14(16)20/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGQNJZCAFKPMKSN-UHFFFAOYSA-N
XLogP-0.37
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.37
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-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione (CID 19013785) is 1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione is CC(CN1C(=O)C=CC1=O)OC(C)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione?
The InChIKey is GQNJZCAFKPMKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-9(7-15-11(17)3-4-12(15)18)21-10(2)8-16-13(19)5-6-14(16)20/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione?
1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione has a molecular weight of 292.29 g/mol, XLogP of -0.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,5-dioxopyrrol-1-yl)propan-2-yloxy]propyl]pyrrole-2,5-dione is sourced from PubChem (CID 19013785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).