1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione

C20H21NO5 — CID 141266658

IUPAC1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCc1oc(O)c(-c2ccccc2)c1CO
InChIInChI=1S/C20H21NO5/c22-13-15-16(26-20(25)19(15)14-7-3-1-4-8-14)9-5-2-6-12-21-17(23)10-11-18(21)24/h1,3-4,7-8,10-11,22,25H,2,5-6,9,12-13H2
InChIKeyYZELRZVTJJJVME-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.78
Rot. Bonds8

About 1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione

1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione (PubChem CID 141266658) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione
PubChem CID141266658
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCc1oc(O)c(-c2ccccc2)c1CO
InChIInChI=1S/C20H21NO5/c22-13-15-16(26-20(25)19(15)14-7-3-1-4-8-14)9-5-2-6-12-21-17(23)10-11-18(21)24/h1,3-4,7-8,10-11,22,25H,2,5-6,9,12-13H2
InChIKeyYZELRZVTJJJVME-UHFFFAOYSA-N
XLogP2.78
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione (CID 141266658) is 1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCc1oc(O)c(-c2ccccc2)c1CO.
What is the InChIKey of 1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione?
The InChIKey is YZELRZVTJJJVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c22-13-15-16(26-20(25)19(15)14-7-3-1-4-8-14)9-5-2-6-12-21-17(23)10-11-18(21)24/h1,3-4,7-8,10-11,22,25H,2,5-6,9,12-13H2.
What are the key properties of 1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione?
1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione has a molecular weight of 355.39 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione is sourced from PubChem (CID 141266658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).