4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one

C22H28N2O4 — CID 108603437

IUPAC4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
SMILESCC(C)CC(=O)C1=C(O)C(=O)N(CCOC(C)C)C1c1c[nH]c2ccccc12
InChIInChI=1S/C22H28N2O4/c1-13(2)11-18(25)19-20(16-12-23-17-8-6-5-7-15(16)17)24(22(27)21(19)26)9-10-28-14(3)4/h5-8,12-14,20,23,26H,9-11H2,1-4H3
InChIKeyDBIGVKJZOHWWMT-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.90
Rot. Bonds8

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

4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one (PubChem CID 108603437) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
PubChem CID108603437
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
SMILESCC(C)CC(=O)C1=C(O)C(=O)N(CCOC(C)C)C1c1c[nH]c2ccccc12
InChIInChI=1S/C22H28N2O4/c1-13(2)11-18(25)19-20(16-12-23-17-8-6-5-7-15(16)17)24(22(27)21(19)26)9-10-28-14(3)4/h5-8,12-14,20,23,26H,9-11H2,1-4H3
InChIKeyDBIGVKJZOHWWMT-UHFFFAOYSA-N
XLogP3.90
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603432
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108646441
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108604568
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603410
4-hydroxy-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625161
1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108646525
2-(2-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108603176
1-(3-ethoxyphenyl)-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108680880
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108604565
1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108681315
4-hydroxy-1-(3-methoxypropyl)-3-(3-methylbutanoyl)-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one
CID 108610128
(4E)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)pyrrolidine-2,3-dione
CID 108603401

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one (CID 108603437) is 4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one is CC(C)CC(=O)C1=C(O)C(=O)N(CCOC(C)C)C1c1c[nH]c2ccccc12.
What is the InChIKey of 4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The InChIKey is DBIGVKJZOHWWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-13(2)11-18(25)19-20(16-12-23-17-8-6-5-7-15(16)17)24(22(27)21(19)26)9-10-28-14(3)4/h5-8,12-14,20,23,26H,9-11H2,1-4H3.
What are the key properties of 4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one has a molecular weight of 384.48 g/mol, XLogP of 3.90, 8 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-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108603437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).