1-(furan-2-ylmethoxy)pyrrole-2,5-dione

C9H7NO4 — CID 57012667

IUPAC1-(furan-2-ylmethoxy)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1OCc1ccco1
InChIInChI=1S/C9H7NO4/c11-8-3-4-9(12)10(8)14-6-7-2-1-5-13-7/h1-5H,6H2
InChIKeyOHTRSYFPCYEDNH-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.64
Rot. Bonds3

About 1-(furan-2-ylmethoxy)pyrrole-2,5-dione

1-(furan-2-ylmethoxy)pyrrole-2,5-dione (PubChem CID 57012667) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)pyrrole-2,5-dione
PubChem CID57012667
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name1-(furan-2-ylmethoxy)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1OCc1ccco1
InChIInChI=1S/C9H7NO4/c11-8-3-4-9(12)10(8)14-6-7-2-1-5-13-7/h1-5H,6H2
InChIKeyOHTRSYFPCYEDNH-UHFFFAOYSA-N
XLogP0.64
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.64
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-(furan-2-ylmethoxy)pyrrole-2,5-dione?
The IUPAC name of 1-(furan-2-ylmethoxy)pyrrole-2,5-dione (CID 57012667) is 1-(furan-2-ylmethoxy)pyrrole-2,5-dione.
What is the SMILES notation for 1-(furan-2-ylmethoxy)pyrrole-2,5-dione?
The canonical SMILES for 1-(furan-2-ylmethoxy)pyrrole-2,5-dione is O=C1C=CC(=O)N1OCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethoxy)pyrrole-2,5-dione?
The InChIKey is OHTRSYFPCYEDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c11-8-3-4-9(12)10(8)14-6-7-2-1-5-13-7/h1-5H,6H2.
What are the key properties of 1-(furan-2-ylmethoxy)pyrrole-2,5-dione?
1-(furan-2-ylmethoxy)pyrrole-2,5-dione has a molecular weight of 193.16 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)pyrrole-2,5-dione is sourced from PubChem (CID 57012667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).