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

C25H23NO5 — CID 108664719

IUPAC3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one
SMILESC=CCOc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC)c1
InChIInChI=1S/C25H23NO5/c1-3-12-26-22(17-9-7-10-18(14-17)30-13-4-2)21(24(28)25(26)29)23(27)20-15-16-8-5-6-11-19(16)31-20/h4-11,14-15,22,28H,2-3,12-13H2,1H3
InChIKeyNOPINNBPPKODHC-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.99
Rot. Bonds8

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

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one (PubChem CID 108664719) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one
PubChem CID108664719
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one
SMILESC=CCOc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC)c1
InChIInChI=1S/C25H23NO5/c1-3-12-26-22(17-9-7-10-18(14-17)30-13-4-2)21(24(28)25(26)29)23(27)20-15-16-8-5-6-11-19(16)31-20/h4-11,14-15,22,28H,2-3,12-13H2,1H3
InChIKeyNOPINNBPPKODHC-UHFFFAOYSA-N
XLogP4.99
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 2951366
(2R)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 40637989
4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 5268690
4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108664760
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-pentyl-2H-pyrrol-5-one
CID 108648601
3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108620847
3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
CID 108694195
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108613168
3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108664504
3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 3492925
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-propyl-2H-pyrrol-5-one
CID 108640583
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-propyl-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108624291

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one (CID 108664719) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one is C=CCOc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC)c1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one?
The InChIKey is NOPINNBPPKODHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-3-12-26-22(17-9-7-10-18(14-17)30-13-4-2)21(24(28)25(26)29)23(27)20-15-16-8-5-6-11-19(16)31-20/h4-11,14-15,22,28H,2-3,12-13H2,1H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one has a molecular weight of 417.46 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 108664719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).