3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C24H24N2O6 — CID 662112

IUPAC3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN2CCOCC2)o1
InChIInChI=1S/C24H24N2O6/c1-15-6-7-18(31-15)21-20(22(27)19-14-16-4-2-3-5-17(16)32-19)23(28)24(29)26(21)9-8-25-10-12-30-13-11-25/h2-7,14,21,28H,8-13H2,1H3
InChIKeyFCASVFSUSVDWJJ-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.24
Rot. Bonds6

About 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 662112) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID662112
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN2CCOCC2)o1
InChIInChI=1S/C24H24N2O6/c1-15-6-7-18(31-15)21-20(22(27)19-14-16-4-2-3-5-17(16)32-19)23(28)24(29)26(21)9-8-25-10-12-30-13-11-25/h2-7,14,21,28H,8-13H2,1H3
InChIKeyFCASVFSUSVDWJJ-UHFFFAOYSA-N
XLogP3.24
TPSA96.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 662112) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is Cc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN2CCOCC2)o1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is FCASVFSUSVDWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-15-6-7-18(31-15)21-20(22(27)19-14-16-4-2-3-5-17(16)32-19)23(28)24(29)26(21)9-8-25-10-12-30-13-11-25/h2-7,14,21,28H,8-13H2,1H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 436.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 662112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).