4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one

C25H27NO5 — CID 4697111

IUPAC4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCOC)cc1
InChIInChI=1S/C25H27NO5/c1-3-16-31-20-12-10-19(11-13-20)23-22(24(28)25(29)26(23)15-17-30-2)21(27)14-9-18-7-5-4-6-8-18/h4-14,23,28H,3,15-17H2,1-2H3
InChIKeyWBVHAQQLTHYKBW-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.10
Rot. Bonds10

About 4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one

4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 4697111) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
PubChem CID4697111
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCOC)cc1
InChIInChI=1S/C25H27NO5/c1-3-16-31-20-12-10-19(11-13-20)23-22(24(28)25(29)26(23)15-17-30-2)21(27)14-9-18-7-5-4-6-8-18/h4-14,23,28H,3,15-17H2,1-2H3
InChIKeyWBVHAQQLTHYKBW-UHFFFAOYSA-N
XLogP4.10
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.10
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

4-hydroxy-1-(3-methoxypropyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 6189906
2-(4-hexoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 6189883
4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4697090
2-(4-butoxyphenyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4697062
2-(4-ethoxyphenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 5055652
(2R)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-(4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 27305443
1-benzyl-2-(4-hexoxyphenyl)-4-hydroxy-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4697533
(2S)-4-hydroxy-1-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 1112545
1-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4697200
2-(4-bromophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4697147
2-(4-butoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4697474
2-(3-ethoxy-4-pentoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4711413

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one (CID 4697111) is 4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1ccc(C2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCOC)cc1.
What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is WBVHAQQLTHYKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-3-16-31-20-12-10-19(11-13-20)23-22(24(28)25(29)26(23)15-17-30-2)21(27)14-9-18-7-5-4-6-8-18/h4-14,23,28H,3,15-17H2,1-2H3.
What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 421.49 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4697111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).