(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one

C22H25N2O6+ — CID 7371697

IUPAC(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+]2CCOCC2)c1
InChIInChI=1S/C22H24N2O6/c1-28-16-5-2-4-15(14-16)19-18(20(25)17-6-3-11-30-17)21(26)22(27)24(19)8-7-23-9-12-29-13-10-23/h2-6,11,14,19,26H,7-10,12-13H2,1H3/p+1/t19-/m1/s1
InChIKeyMXDAFBRUBMLKLI-LJQANCHMSA-O
MW413.45 g/mol
LogP0.78
Rot. Bonds7

About (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one

(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 7371697) has the molecular formula C22H25N2O6+ and a molecular weight of 413.45 g/mol. Its IUPAC name is (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
PubChem CID7371697
Molecular FormulaC22H25N2O6+
Molecular Weight413.45 g/mol
Exact Mass413.17
IUPAC Name(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+]2CCOCC2)c1
InChIInChI=1S/C22H24N2O6/c1-28-16-5-2-4-15(14-16)19-18(20(25)17-6-3-11-30-17)21(26)22(27)24(19)8-7-23-9-12-29-13-10-23/h2-6,11,14,19,26H,7-10,12-13H2,1H3/p+1/t19-/m1/s1
InChIKeyMXDAFBRUBMLKLI-LJQANCHMSA-O
XLogP0.78
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
CID 6980522
3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-2H-pyrrol-5-one
CID 4756624
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 3147555
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3401787
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793372
4-[3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]-2-methoxyphenolate
CID 3392055
3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate
CID 3380297
3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 4756305
(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
CID 6980769
2-ethoxy-4-[3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]phenolate
CID 4982611
3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate
CID 4567686
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 2917899

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one (CID 7371697) is (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one is COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+]2CCOCC2)c1.
What is the InChIKey of (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is MXDAFBRUBMLKLI-LJQANCHMSA-O. The full InChI is InChI=1S/C22H24N2O6/c1-28-16-5-2-4-15(14-16)19-18(20(25)17-6-3-11-30-17)21(26)22(27)24(19)8-7-23-9-12-29-13-10-23/h2-6,11,14,19,26H,7-10,12-13H2,1H3/p+1/t19-/m1/s1.
What are the key properties of (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one?
(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 413.45 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 7371697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).