1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane

C17H16N2O4 — CID 160652387

IUPAC1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane
SMILESCCC.O=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/C14H8N2O4.C3H8/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20;1-3-2/h1-8H;3H2,1-2H3
InChIKeyRKPDSKNNBPZGKY-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.96
Rot. Bonds2

About 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane

1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane (PubChem CID 160652387) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane.

Molecular Properties

Compound Name1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane
PubChem CID160652387
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane
SMILESCCC.O=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/C14H8N2O4.C3H8/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20;1-3-2/h1-8H;3H2,1-2H3
InChIKeyRKPDSKNNBPZGKY-UHFFFAOYSA-N
XLogP1.96
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane?
The IUPAC name of 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane (CID 160652387) is 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane.
What is the SMILES notation for 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane?
The canonical SMILES for 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane is CCC.O=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1.
What is the InChIKey of 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane?
The InChIKey is RKPDSKNNBPZGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O4.C3H8/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20;1-3-2/h1-8H;3H2,1-2H3.
What are the key properties of 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane?
1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane has a molecular weight of 312.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane is sourced from PubChem (CID 160652387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).