4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

C21H24N2O4 — CID 108604042

IUPAC4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(CC2CCCO2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C21H24N2O4/c1-12(2)19(24)17-18(15-10-22-16-8-4-3-7-14(15)16)23(21(26)20(17)25)11-13-6-5-9-27-13/h3-4,7-8,10,12-13,18,22,25H,5-6,9,11H2,1-2H3
InChIKeyOKLOZWYYWSQWHP-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.27
Rot. Bonds5

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

4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108604042) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID108604042
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(CC2CCCO2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C21H24N2O4/c1-12(2)19(24)17-18(15-10-22-16-8-4-3-7-14(15)16)23(21(26)20(17)25)11-13-6-5-9-27-13/h3-4,7-8,10,12-13,18,22,25H,5-6,9,11H2,1-2H3
InChIKeyOKLOZWYYWSQWHP-UHFFFAOYSA-N
XLogP3.27
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 108642681
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108604390
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108646263
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(1H-indol-3-yl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CID 108604028
(4E)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(1H-indol-3-yl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CID 108604026
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108681050
(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1H-indol-3-yl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CID 108604034
(4E)-4-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-5-(1H-indol-3-yl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CID 108604071
(4E)-4-[(5-tert-butyl-2-methoxyphenyl)-hydroxymethylidene]-5-(1H-indol-3-yl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CID 108603992
(4E)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-naphthalen-1-yl-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CID 108597299
4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108627161
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one (CID 108604042) is 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(CC2CCCO2)C1c1c[nH]c2ccccc12.
What is the InChIKey of 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is OKLOZWYYWSQWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-12(2)19(24)17-18(15-10-22-16-8-4-3-7-14(15)16)23(21(26)20(17)25)11-13-6-5-9-27-13/h3-4,7-8,10,12-13,18,22,25H,5-6,9,11H2,1-2H3.
What are the key properties of 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 368.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108604042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).