4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one

C17H21NO3 — CID 108652217

IUPAC4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(O)=C(C(=O)CC)C1c1ccccc1C
InChIInChI=1S/C17H21NO3/c1-4-10-18-15(12-9-7-6-8-11(12)3)14(13(19)5-2)16(20)17(18)21/h6-9,15,20H,4-5,10H2,1-3H3
InChIKeyVHBTVKOIWHTGLR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.08
Rot. Bonds5

About 4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one

4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one (PubChem CID 108652217) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one
PubChem CID108652217
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(O)=C(C(=O)CC)C1c1ccccc1C
InChIInChI=1S/C17H21NO3/c1-4-10-18-15(12-9-7-6-8-11(12)3)14(13(19)5-2)16(20)17(18)21/h6-9,15,20H,4-5,10H2,1-3H3
InChIKeyVHBTVKOIWHTGLR-UHFFFAOYSA-N
XLogP3.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108652043
4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108652478
1-butyl-4-hydroxy-2-(2-methylphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108652129
1-[2-(diethylamino)ethyl]-4-hydroxy-2-(2-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108652408
1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108606479
2-[4-(dimethylamino)phenyl]-4-hydroxy-3-propanoyl-1-propyl-2H-pyrrol-5-one
CID 108615886
1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108646525
2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108603173
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-propyl-2H-pyrrol-5-one
CID 108652237
2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108603260
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-naphthalen-1-yl-3-propanoyl-2H-pyrrol-5-one
CID 108694393
2-(2-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-pentyl-2H-pyrrol-5-one
CID 108646006

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one (CID 108652217) is 4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one is CCCN1C(=O)C(O)=C(C(=O)CC)C1c1ccccc1C.
What is the InChIKey of 4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one?
The InChIKey is VHBTVKOIWHTGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-10-18-15(12-9-7-6-8-11(12)3)14(13(19)5-2)16(20)17(18)21/h6-9,15,20H,4-5,10H2,1-3H3.
What are the key properties of 4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one?
4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one has a molecular weight of 287.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 108652217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).