4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one

C25H27NO4 — CID 108664760

IUPAC4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one
SMILESC=CCOc1cccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2CCC)c1
InChIInChI=1S/C25H27NO4/c1-3-15-26-23(19-11-8-12-20(17-19)30-16-4-2)22(24(28)25(26)29)21(27)14-13-18-9-6-5-7-10-18/h4-12,17,23,28H,2-3,13-16H2,1H3
InChIKeyBALACTGKAUYODC-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.56
Rot. Bonds10

About 4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one

4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one (PubChem CID 108664760) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is 4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one
PubChem CID108664760
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one
SMILESC=CCOc1cccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2CCC)c1
InChIInChI=1S/C25H27NO4/c1-3-15-26-23(19-11-8-12-20(17-19)30-16-4-2)22(24(28)25(26)29)21(27)14-13-18-9-6-5-7-10-18/h4-12,17,23,28H,2-3,13-16H2,1H3
InChIKeyBALACTGKAUYODC-UHFFFAOYSA-N
XLogP4.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108636693
1-butyl-4-hydroxy-2-[3-(2-hydroxyethoxy)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108664847
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108664719
2-(4-butoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-1-propyl-2H-pyrrol-5-one
CID 108636288
1-benzyl-4-hydroxy-2-(3-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 5056727
4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 108664587
1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-(3-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108699806
1-butyl-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108620563
4-hydroxy-1-(3-methoxypropyl)-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108619786
3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108664504
1-butyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631390
4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108640302

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one (CID 108664760) is 4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one is C=CCOc1cccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2CCC)c1.
What is the InChIKey of 4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one?
The InChIKey is BALACTGKAUYODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-3-15-26-23(19-11-8-12-20(17-19)30-16-4-2)22(24(28)25(26)29)21(27)14-13-18-9-6-5-7-10-18/h4-12,17,23,28H,2-3,13-16H2,1H3.
What are the key properties of 4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one?
4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one has a molecular weight of 405.49 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 108664760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).