4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

C25H26N2O3 — CID 108681050

IUPAC4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C25H26N2O3/c1-14(2)16-9-11-17(12-10-16)27-22(19-13-26-20-8-6-5-7-18(19)20)21(23(28)15(3)4)24(29)25(27)30/h5-15,22,26,29H,1-4H3
InChIKeyUKCCXXABEKJGSA-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.42
Rot. Bonds5

About 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (PubChem CID 108681050) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
PubChem CID108681050
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C25H26N2O3/c1-14(2)16-9-11-17(12-10-16)27-22(19-13-26-20-8-6-5-7-18(19)20)21(23(28)15(3)4)24(29)25(27)30/h5-15,22,26,29H,1-4H3
InChIKeyUKCCXXABEKJGSA-UHFFFAOYSA-N
XLogP5.42
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108646263
4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108681051
4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108604738
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108604390
1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108681315
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(1H-indol-3-yl)-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 108681030
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 108604042
4-hydroxy-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591029
1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108679665
(4E)-4-[(3,5-dichloro-2-methoxyphenyl)-hydroxymethylidene]-5-(1H-indol-3-yl)-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 108681014
(4E)-4-[hydroxy(5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-5-(1H-indol-3-yl)-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 108681023
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108603887

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (CID 108681050) is 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)C1c1c[nH]c2ccccc12.
What is the InChIKey of 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The InChIKey is UKCCXXABEKJGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-14(2)16-9-11-17(12-10-16)27-22(19-13-26-20-8-6-5-7-18(19)20)21(23(28)15(3)4)24(29)25(27)30/h5-15,22,26,29H,1-4H3.
What are the key properties of 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 402.49 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108681050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).