3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one

C20H19NO5 — CID 3152540

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1ccccc1)c1ccco1
InChIInChI=1S/C20H19NO5/c22-18(15-9-5-11-26-15)16-17(13-6-2-1-3-7-13)21(20(24)19(16)23)12-14-8-4-10-25-14/h1-3,5-7,9,11,14,17,23H,4,8,10,12H2
InChIKeyYZOZYNJBZKFQDH-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.04
Rot. Bonds5

About 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 3152540) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one
PubChem CID3152540
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1ccccc1)c1ccco1
InChIInChI=1S/C20H19NO5/c22-18(15-9-5-11-26-15)16-17(13-6-2-1-3-7-13)21(20(24)19(16)23)12-14-8-4-10-25-14/h1-3,5-7,9,11,14,17,23H,4,8,10,12H2
InChIKeyYZOZYNJBZKFQDH-UHFFFAOYSA-N
XLogP3.04
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one (CID 3152540) is 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1ccccc1)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is YZOZYNJBZKFQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c22-18(15-9-5-11-26-15)16-17(13-6-2-1-3-7-13)21(20(24)19(16)23)12-14-8-4-10-25-14/h1-3,5-7,9,11,14,17,23H,4,8,10,12H2.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 353.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 3152540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).