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

C21H22FN2O5+ — CID 6980769

IUPAC(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@@H]1c1ccccc1F)c1ccco1
InChIInChI=1S/C21H21FN2O5/c22-15-5-2-1-4-14(15)18-17(19(25)16-6-3-11-29-16)20(26)21(27)24(18)8-7-23-9-12-28-13-10-23/h1-6,11,18,26H,7-10,12-13H2/p+1/t18-/m1/s1
InChIKeySSTHJJBZDXNRRH-GOSISDBHSA-O
MW401.41 g/mol
LogP0.91
Rot. Bonds6

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

(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 6980769) has the molecular formula C21H22FN2O5+ and a molecular weight of 401.41 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
PubChem CID6980769
Molecular FormulaC21H22FN2O5+
Molecular Weight401.41 g/mol
Exact Mass401.15
IUPAC Name(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@@H]1c1ccccc1F)c1ccco1
InChIInChI=1S/C21H21FN2O5/c22-15-5-2-1-4-14(15)18-17(19(25)16-6-3-11-29-16)20(26)21(27)24(18)8-7-23-9-12-28-13-10-23/h1-6,11,18,26H,7-10,12-13H2/p+1/t18-/m1/s1
InChIKeySSTHJJBZDXNRRH-GOSISDBHSA-O
XLogP0.91
TPSA84.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-2H-pyrrol-5-one
CID 4756624
2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108645920
(2S)-2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
CID 6980522
(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 7371665
(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
CID 7371697
3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 4756305
2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 4551429
3-acetyl-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
CID 3586144
4-[3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]-2-methoxyphenolate
CID 3392055
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2907901
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
[2-(2-fluorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-phenylmethanolate
CID 4002806

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one (CID 6980769) is (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@@H]1c1ccccc1F)c1ccco1.
What is the InChIKey of (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is SSTHJJBZDXNRRH-GOSISDBHSA-O. The full InChI is InChI=1S/C21H21FN2O5/c22-15-5-2-1-4-14(15)18-17(19(25)16-6-3-11-29-16)20(26)21(27)24(18)8-7-23-9-12-28-13-10-23/h1-6,11,18,26H,7-10,12-13H2/p+1/t18-/m1/s1.
What are the key properties of (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one?
(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 401.41 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 6980769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).