(2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

C27H23NO5 — CID 41032905

IUPAC(2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
SMILESCOc1ccc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1
InChIInChI=1S/C27H23NO5/c1-32-20-14-15-21(23(17-20)33-2)25-24(22(29)16-13-18-9-5-3-6-10-18)26(30)27(31)28(25)19-11-7-4-8-12-19/h3-17,25,30H,1-2H3/b16-13+/t25-/m1/s1
InChIKeyDEPVNDFPCAUFKJ-XOJXFWDVSA-N
MW441.48 g/mol
LogP4.89
Rot. Bonds7

About (2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

(2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one (PubChem CID 41032905) has the molecular formula C27H23NO5 and a molecular weight of 441.48 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
PubChem CID41032905
Molecular FormulaC27H23NO5
Molecular Weight441.48 g/mol
Exact Mass441.16
IUPAC Name(2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
SMILESCOc1ccc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1
InChIInChI=1S/C27H23NO5/c1-32-20-14-15-21(23(17-20)33-2)25-24(22(29)16-13-18-9-5-3-6-10-18)26(30)27(31)28(25)19-11-7-4-8-12-19/h3-17,25,30H,1-2H3/b16-13+/t25-/m1/s1
InChIKeyDEPVNDFPCAUFKJ-XOJXFWDVSA-N
XLogP4.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(3-phenylprop-2-enoyl)-2H-pyrrol-1-yl]benzoic acid
CID 3708962
(2S)-4-hydroxy-2-(4-methoxyphenyl)-1-(3-methylphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 41021135
(2S)-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(4-methoxyphenyl)-3-[(Z)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 92847908
2-(2-fluorophenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 5348834
(2S)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(4-iodophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 94482968
4-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid
CID 7068202
1-(4-ethoxyphenyl)-4-hydroxy-2-phenyl-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4972723
(2R)-4-hydroxy-2-(2-nitrophenyl)-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 41019996
(2S)-4-hydroxy-1-(4-methylphenyl)-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 1046701
3-[4-hydroxy-5-oxo-2-phenyl-3-(3-phenylprop-2-enoyl)-2H-pyrrol-1-yl]benzoic acid
CID 3516879
(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 40909817
4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 6189554

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?
The IUPAC name of (2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one (CID 41032905) is (2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is COc1ccc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1.
What is the InChIKey of (2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?
The InChIKey is DEPVNDFPCAUFKJ-XOJXFWDVSA-N. The full InChI is InChI=1S/C27H23NO5/c1-32-20-14-15-21(23(17-20)33-2)25-24(22(29)16-13-18-9-5-3-6-10-18)26(30)27(31)28(25)19-11-7-4-8-12-19/h3-17,25,30H,1-2H3/b16-13+/t25-/m1/s1.
What are the key properties of (2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?
(2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one has a molecular weight of 441.48 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is sourced from PubChem (CID 41032905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).