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

C22H28N2O4 — CID 108603432

IUPAC3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
SMILESCC(C)OCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)C1c1c[nH]c2ccccc12
InChIInChI=1S/C22H28N2O4/c1-13(2)28-11-10-24-18(15-12-23-16-9-7-6-8-14(15)16)17(19(25)21(24)27)20(26)22(3,4)5/h6-9,12-13,18,23,25H,10-11H2,1-5H3
InChIKeyPWCKCQSMPVKCLK-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.90
Rot. Bonds6

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

3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one (PubChem CID 108603432) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
PubChem CID108603432
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
SMILESCC(C)OCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)C1c1c[nH]c2ccccc12
InChIInChI=1S/C22H28N2O4/c1-13(2)28-11-10-24-18(15-12-23-16-9-7-6-8-14(15)16)17(19(25)21(24)27)20(26)22(3,4)5/h6-9,12-13,18,23,25H,10-11H2,1-5H3
InChIKeyPWCKCQSMPVKCLK-UHFFFAOYSA-N
XLogP3.90
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603437
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603410
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108646441
(4E)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)pyrrolidine-2,3-dione
CID 108603401
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108604568
1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108646525
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108604390
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108696530
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108618028
(4E)-4-[(4-chloro-3-methoxyphenyl)-hydroxymethylidene]-5-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)pyrrolidine-2,3-dione
CID 108603382
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108604565
3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108646355

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one (CID 108603432) is 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one is CC(C)OCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The InChIKey is PWCKCQSMPVKCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-13(2)28-11-10-24-18(15-12-23-16-9-7-6-8-14(15)16)17(19(25)21(24)27)20(26)22(3,4)5/h6-9,12-13,18,23,25H,10-11H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one has a molecular weight of 384.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108603432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).