(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one

C21H24N2O6 — CID 1322116

IUPAC(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
SMILESCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)o1
InChIInChI=1S/C21H24N2O6/c1-14-5-6-15(29-14)18-17(19(24)16-4-2-11-28-16)20(25)21(26)23(18)8-3-7-22-9-12-27-13-10-22/h2,4-6,11,18,25H,3,7-10,12-13H2,1H3/t18-/m0/s1
InChIKeyAIVHZVNOTHWHAL-SFHVURJKSA-N
MW400.43 g/mol
LogP2.48
Rot. Bonds7

About (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one

(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one (PubChem CID 1322116) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
PubChem CID1322116
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
SMILESCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)o1
InChIInChI=1S/C21H24N2O6/c1-14-5-6-15(29-14)18-17(19(24)16-4-2-11-28-16)20(25)21(26)23(18)8-3-7-22-9-12-27-13-10-22/h2,4-6,11,18,25H,3,7-10,12-13H2,1H3/t18-/m0/s1
InChIKeyAIVHZVNOTHWHAL-SFHVURJKSA-N
XLogP2.48
TPSA96.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 1155191
3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 3146487
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 1155121
(2R)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 1155672
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 3536054
(2S)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1333033
2-(4-butoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 3481015
(2S)-1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 1081115
(2S)-2-(2,3-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 1323791
(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 1419412
3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 3770617
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2907901

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one (CID 1322116) is (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one is Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)o1.
What is the InChIKey of (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?
The InChIKey is AIVHZVNOTHWHAL-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-14-5-6-15(29-14)18-17(19(24)16-4-2-11-28-16)20(25)21(26)23(18)8-3-7-22-9-12-27-13-10-22/h2,4-6,11,18,25H,3,7-10,12-13H2,1H3/t18-/m0/s1.
What are the key properties of (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?
(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one has a molecular weight of 400.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 1322116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).