1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one

C19H25NO3 — CID 108652129

IUPAC1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCCCCN1C(=O)C(O)=C(C(=O)C(C)C)C1c1ccccc1C
InChIInChI=1S/C19H25NO3/c1-5-6-11-20-16(14-10-8-7-9-13(14)4)15(17(21)12(2)3)18(22)19(20)23/h7-10,12,16,22H,5-6,11H2,1-4H3
InChIKeyOVLCCWUSUUWJQW-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.72
Rot. Bonds6

About 1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one

1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108652129) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
PubChem CID108652129
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCCCCN1C(=O)C(O)=C(C(=O)C(C)C)C1c1ccccc1C
InChIInChI=1S/C19H25NO3/c1-5-6-11-20-16(14-10-8-7-9-13(14)4)15(17(21)12(2)3)18(22)19(20)23/h7-10,12,16,22H,5-6,11H2,1-4H3
InChIKeyOVLCCWUSUUWJQW-UHFFFAOYSA-N
XLogP3.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one
CID 108652217
1-butyl-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108649783
4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108652478
4-hydroxy-3-(2-methylpropanoyl)-1-pentyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635042
1-butyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108652149
1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108645769
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108652043
2-(2-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-pentyl-2H-pyrrol-5-one
CID 108646006
(2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one
CID 7387591
4-hydroxy-2-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108689909
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108640409
(4Z)-1-butyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108652116

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one (CID 108652129) is 1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one is CCCCN1C(=O)C(O)=C(C(=O)C(C)C)C1c1ccccc1C.
What is the InChIKey of 1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is OVLCCWUSUUWJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-5-6-11-20-16(14-10-8-7-9-13(14)4)15(17(21)12(2)3)18(22)19(20)23/h7-10,12,16,22H,5-6,11H2,1-4H3.
What are the key properties of 1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 315.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108652129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).