(2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one

C19H24ClN2O4+ — CID 6969615

IUPAC(2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1Cl
InChIInChI=1S/C19H23ClN2O4/c1-13(23)16-17(14-5-2-3-6-15(14)20)22(19(25)18(16)24)8-4-7-21-9-11-26-12-10-21/h2-3,5-6,17,24H,4,7-12H2,1H3/p+1/t17-/m0/s1
InChIKeyRFFFLPMGVGYHSH-KRWDZBQOSA-O
MW379.86 g/mol
LogP0.93
Rot. Bonds6

About (2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one

(2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one (PubChem CID 6969615) has the molecular formula C19H24ClN2O4+ and a molecular weight of 379.86 g/mol. Its IUPAC name is (2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one
PubChem CID6969615
Molecular FormulaC19H24ClN2O4+
Molecular Weight379.86 g/mol
Exact Mass379.14
IUPAC Name(2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1Cl
InChIInChI=1S/C19H23ClN2O4/c1-13(23)16-17(14-5-2-3-6-15(14)20)22(19(25)18(16)24)8-4-7-21-9-11-26-12-10-21/h2-3,5-6,17,24H,4,7-12H2,1H3/p+1/t17-/m0/s1
InChIKeyRFFFLPMGVGYHSH-KRWDZBQOSA-O
XLogP0.93
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one
CID 6969602
3-acetyl-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
CID 3586144
(2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one
CID 7387591
(E)-(4-chlorophenyl)-[2-(2-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate
CID 6066864
3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one
CID 567242
2-(4-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 4756242
(2S)-3-acetyl-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 7120218
(2R)-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 28699307
(2S)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 673032
(2R)-3-(1-benzofuran-2-carbonyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one
CID 6959633
4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 4751460
(2R)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 6959629

Frequently Asked Questions

What is the IUPAC name of (2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one (CID 6969615) is (2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1Cl.
What is the InChIKey of (2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one?
The InChIKey is RFFFLPMGVGYHSH-KRWDZBQOSA-O. The full InChI is InChI=1S/C19H23ClN2O4/c1-13(23)16-17(14-5-2-3-6-15(14)20)22(19(25)18(16)24)8-4-7-21-9-11-26-12-10-21/h2-3,5-6,17,24H,4,7-12H2,1H3/p+1/t17-/m0/s1.
What are the key properties of (2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one?
(2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one has a molecular weight of 379.86 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 6969615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).