2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one

C20H24ClNO3 — CID 108641760

IUPAC2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
SMILESCC(C)CC(=O)C1=C(O)C(=O)N(C2CCCC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClNO3/c1-12(2)11-16(23)17-18(13-7-9-14(21)10-8-13)22(20(25)19(17)24)15-5-3-4-6-15/h7-10,12,15,18,24H,3-6,11H2,1-2H3
InChIKeyWEJXYQFHGHHGAW-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.59
Rot. Bonds5

About 2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one

2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one (PubChem CID 108641760) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
PubChem CID108641760
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
SMILESCC(C)CC(=O)C1=C(O)C(=O)N(C2CCCC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClNO3/c1-12(2)11-16(23)17-18(13-7-9-14(21)10-8-13)22(20(25)19(17)24)15-5-3-4-6-15/h7-10,12,15,18,24H,3-6,11H2,1-2H3
InChIKeyWEJXYQFHGHHGAW-UHFFFAOYSA-N
XLogP4.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108678980
2-(4-chlorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108600273
1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 108595736
1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108635930
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one
CID 108641778
2-(4-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43860006
4-hydroxy-3-(3-methylbutanoyl)-2-(4-propan-2-ylphenyl)-1-propyl-2H-pyrrol-5-one
CID 108643985
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(3-methylbutanoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108643823
1-(3,4-dichlorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108669075
1-benzyl-4-hydroxy-3-(3-methylbutanoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 4692036
1-(3-chloro-4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108665529
1,2-bis(4-tert-butylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108717521

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one (CID 108641760) is 2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one is CC(C)CC(=O)C1=C(O)C(=O)N(C2CCCC2)C1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The InChIKey is WEJXYQFHGHHGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-12(2)11-16(23)17-18(13-7-9-14(21)10-8-13)22(20(25)19(17)24)15-5-3-4-6-15/h7-10,12,15,18,24H,3-6,11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one has a molecular weight of 361.87 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108641760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).