(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one

C22H23NO5 — CID 1080434

IUPAC(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
SMILESCCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1
InChIInChI=1S/C22H23NO5/c1-2-14-7-9-15(10-8-14)19-18(20(24)17-6-4-12-28-17)21(25)22(26)23(19)13-16-5-3-11-27-16/h4,6-10,12,16,19,25H,2-3,5,11,13H2,1H3/t16-,19+/m1/s1
InChIKeyZXOJHURQNJGYEP-APWZRJJASA-N
MW381.43 g/mol
LogP3.60
Rot. Bonds6

About (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one

(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one (PubChem CID 1080434) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
PubChem CID1080434
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
SMILESCCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1
InChIInChI=1S/C22H23NO5/c1-2-14-7-9-15(10-8-14)19-18(20(24)17-6-4-12-28-17)21(25)22(26)23(19)13-16-5-3-11-27-16/h4,6-10,12,16,19,25H,2-3,5,11,13H2,1H3/t16-,19+/m1/s1
InChIKeyZXOJHURQNJGYEP-APWZRJJASA-N
XLogP3.60
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-2H-pyrrol-5-one
CID 1080394
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 3152545
(2S)-2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1080473
(2R)-2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1080476
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 108619251
2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 2934517
2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one
CID 108649303
2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 4635084
2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 3152556
(2R)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 847486
(2R)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 847442
(2S)-2-(3-bromophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1033324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one (CID 1080434) is (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one is CCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1.
What is the InChIKey of (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one?
The InChIKey is ZXOJHURQNJGYEP-APWZRJJASA-N. The full InChI is InChI=1S/C22H23NO5/c1-2-14-7-9-15(10-8-14)19-18(20(24)17-6-4-12-28-17)21(25)22(26)23(19)13-16-5-3-11-27-16/h4,6-10,12,16,19,25H,2-3,5,11,13H2,1H3/t16-,19+/m1/s1.
What are the key properties of (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one?
(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one has a molecular weight of 381.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 1080434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).