(2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one

C21H20ClNO5 — CID 1033351

IUPAC(2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(Cl)c2)o1
InChIInChI=1S/C21H20ClNO5/c1-12-7-8-16(28-12)19(24)17-18(13-4-2-5-14(22)10-13)23(21(26)20(17)25)11-15-6-3-9-27-15/h2,4-5,7-8,10,15,18,25H,3,6,9,11H2,1H3/t15-,18-/m1/s1
InChIKeyPATGTGZENOSISQ-CRAIPNDOSA-N
MW401.85 g/mol
LogP4.00
Rot. Bonds5

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

(2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one (PubChem CID 1033351) has the molecular formula C21H20ClNO5 and a molecular weight of 401.85 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
PubChem CID1033351
Molecular FormulaC21H20ClNO5
Molecular Weight401.85 g/mol
Exact Mass401.10
IUPAC Name(2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(Cl)c2)o1
InChIInChI=1S/C21H20ClNO5/c1-12-7-8-16(28-12)19(24)17-18(13-4-2-5-14(22)10-13)23(21(26)20(17)25)11-15-6-3-9-27-15/h2,4-5,7-8,10,15,18,25H,3,6,9,11H2,1H3/t15-,18-/m1/s1
InChIKeyPATGTGZENOSISQ-CRAIPNDOSA-N
XLogP4.00
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3-bromophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1033324
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 108619251
2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 4633728
(2S)-2-(3-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 7394963
(2R)-2-(3-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 7394964
4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 4634684
(2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 27305566
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-2H-pyrrol-5-one
CID 1080394
(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1080434
(4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CID 108659812
(2R)-3-acetyl-4-hydroxy-2-(3-nitrophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 847478
2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 2934517

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one?
The IUPAC name of (2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one (CID 1033351) is (2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(Cl)c2)o1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one?
The InChIKey is PATGTGZENOSISQ-CRAIPNDOSA-N. The full InChI is InChI=1S/C21H20ClNO5/c1-12-7-8-16(28-12)19(24)17-18(13-4-2-5-14(22)10-13)23(21(26)20(17)25)11-15-6-3-9-27-15/h2,4-5,7-8,10,15,18,25H,3,6,9,11H2,1H3/t15-,18-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one?
(2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one has a molecular weight of 401.85 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 1033351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).