1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one

C22H29NO4 — CID 108635930

IUPAC1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCOc1ccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2C2CCCC2)cc1
InChIInChI=1S/C22H29NO4/c1-5-27-16-12-10-14(11-13-16)18-17(20(25)22(2,3)4)19(24)21(26)23(18)15-8-6-7-9-15/h10-13,15,18,24H,5-9H2,1-4H3
InChIKeyIYYCUSRPPYFDEC-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.34
Rot. Bonds5

About 1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one

1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108635930) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108635930
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCOc1ccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2C2CCCC2)cc1
InChIInChI=1S/C22H29NO4/c1-5-27-16-12-10-14(11-13-16)18-17(20(25)22(2,3)4)19(24)21(26)23(18)15-8-6-7-9-15/h10-13,15,18,24H,5-9H2,1-4H3
InChIKeyIYYCUSRPPYFDEC-UHFFFAOYSA-N
XLogP4.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-pentyl-2H-pyrrol-5-one
CID 108635843
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CID 108595736
1-cyclopentyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108586854
1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 108648132
1-cyclopentyl-2-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108636935
3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108674635
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CID 108627577
1-cyclopentyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 108595741
1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108662691
2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108641760
3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108654383
(4Z)-1-cyclopentyl-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 108644147

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one (CID 108635930) is 1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one is CCOc1ccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is IYYCUSRPPYFDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-5-27-16-12-10-14(11-13-16)18-17(20(25)22(2,3)4)19(24)21(26)23(18)15-8-6-7-9-15/h10-13,15,18,24H,5-9H2,1-4H3.
What are the key properties of 1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 371.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108635930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).