1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one

C21H27NO4 — CID 108648132

IUPAC1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(C2CCCCC2)C1c1cccc(O)c1
InChIInChI=1S/C21H27NO4/c1-21(2,3)19(25)16-17(13-8-7-11-15(23)12-13)22(20(26)18(16)24)14-9-5-4-6-10-14/h7-8,11-12,14,17,23-24H,4-6,9-10H2,1-3H3
InChIKeyKCNUNJKKQUSYHG-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.04
Rot. Bonds3

About 1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one

1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one (PubChem CID 108648132) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
PubChem CID108648132
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(C2CCCCC2)C1c1cccc(O)c1
InChIInChI=1S/C21H27NO4/c1-21(2,3)19(25)16-17(13-8-7-11-15(23)12-13)22(20(26)18(16)24)14-9-5-4-6-10-14/h7-8,11-12,14,17,23-24H,4-6,9-10H2,1-3H3
InChIKeyKCNUNJKKQUSYHG-UHFFFAOYSA-N
XLogP4.04
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-pyridin-2-yl-2H-pyrrol-5-one
CID 108627577
1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108635930
1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108662691
1-cyclopentyl-2-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108636935
1-(3-chloro-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 108681658
methyl 2-[4-[3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetate
CID 108681919
ethyl 3-[3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108682093
(4Z)-1-cyclohexyl-5-(3-hydroxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108648093
1-cyclohexyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108613536
(4Z)-1-cyclohexyl-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108648103
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-cyclopentyl-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108648868

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one (CID 108648132) is 1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one is CC(C)(C)C(=O)C1=C(O)C(=O)N(C2CCCCC2)C1c1cccc(O)c1.
What is the InChIKey of 1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?
The InChIKey is KCNUNJKKQUSYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-21(2,3)19(25)16-17(13-8-7-11-15(23)12-13)22(20(26)18(16)24)14-9-5-4-6-10-14/h7-8,11-12,14,17,23-24H,4-6,9-10H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?
1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one has a molecular weight of 357.45 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108648132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).