3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione

C10H8N2O5 — CID 54291536

IUPAC3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione
SMILESO=C1C=C(COCC2=CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C10H8N2O5/c13-7-1-5(9(15)11-7)3-17-4-6-2-8(14)12-10(6)16/h1-2H,3-4H2,(H,11,13,15)(H,12,14,16)
InChIKeyRXVKVMVWWUIUSU-UHFFFAOYSA-N
MW236.18 g/mol
LogP-1.83
Rot. Bonds4

About 3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione

3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione (PubChem CID 54291536) has the molecular formula C10H8N2O5 and a molecular weight of 236.18 g/mol. Its IUPAC name is 3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione
PubChem CID54291536
Molecular FormulaC10H8N2O5
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC Name3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione
SMILESO=C1C=C(COCC2=CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C10H8N2O5/c13-7-1-5(9(15)11-7)3-17-4-6-2-8(14)12-10(6)16/h1-2H,3-4H2,(H,11,13,15)(H,12,14,16)
InChIKeyRXVKVMVWWUIUSU-UHFFFAOYSA-N
XLogP-1.83
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 5-1.83
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 3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione?
The IUPAC name of 3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione (CID 54291536) is 3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione is O=C1C=C(COCC2=CC(=O)NC2=O)C(=O)N1.
What is the InChIKey of 3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione?
The InChIKey is RXVKVMVWWUIUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O5/c13-7-1-5(9(15)11-7)3-17-4-6-2-8(14)12-10(6)16/h1-2H,3-4H2,(H,11,13,15)(H,12,14,16).
What are the key properties of 3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione?
3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione has a molecular weight of 236.18 g/mol, XLogP of -1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxopyrrol-3-yl)methoxymethyl]pyrrole-2,5-dione is sourced from PubChem (CID 54291536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).