1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one

C22H29NO4 — CID 108595736

IUPAC1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)C(C)C)=C(O)C(=O)N2C2CCCC2)cc1
InChIInChI=1S/C22H29NO4/c1-4-13-27-17-11-9-15(10-12-17)19-18(20(24)14(2)3)21(25)22(26)23(19)16-7-5-6-8-16/h9-12,14,16,19,25H,4-8,13H2,1-3H3
InChIKeyQUYHJGGYHHBNPV-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.34
Rot. Bonds7

About 1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one

1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108595736) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
PubChem CID108595736
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)C(C)C)=C(O)C(=O)N2C2CCCC2)cc1
InChIInChI=1S/C22H29NO4/c1-4-13-27-17-11-9-15(10-12-17)19-18(20(24)14(2)3)21(25)22(26)23(19)16-7-5-6-8-16/h9-12,14,16,19,25H,4-8,13H2,1-3H3
InChIKeyQUYHJGGYHHBNPV-UHFFFAOYSA-N
XLogP4.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

1-cyclopentyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 108595741
4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 108636016
1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108635930
(4E)-1-cyclopentyl-4-[(2,6-dimethoxyphenyl)-hydroxymethylidene]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
CID 108595742
1-cyclopentyl-2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108657057
(4Z)-1-cyclopentyl-4-[hydroxy-(2-methoxyphenyl)methylidene]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
CID 108595679
2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108641760
2-(4-ethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108594942
(4Z)-5-(4-chlorophenyl)-1-cyclohexyl-4-[hydroxy-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108600492
4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 108688953
(4Z)-1-cyclopentyl-4-[(2,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
CID 108595707
(4Z)-1-cyclopentyl-5-(4-ethoxyphenyl)-4-[hydroxy-(3-propoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108635888

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one (CID 108595736) is 1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1ccc(C2C(C(=O)C(C)C)=C(O)C(=O)N2C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is QUYHJGGYHHBNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-4-13-27-17-11-9-15(10-12-17)19-18(20(24)14(2)3)21(25)22(26)23(19)16-7-5-6-8-16/h9-12,14,16,19,25H,4-8,13H2,1-3H3.
What are the key properties of 1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 371.48 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108595736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).