4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one

C19H25NO5 — CID 108613192

IUPAC4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(CCOC(C)C)C1c1cccc(OC)c1
InChIInChI=1S/C19H25NO5/c1-5-15(21)16-17(13-7-6-8-14(11-13)24-4)20(19(23)18(16)22)9-10-25-12(2)3/h6-8,11-12,17,22H,5,9-10H2,1-4H3
InChIKeyALRIWQXHLJZDDT-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.79
Rot. Bonds8

About 4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one

4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one (PubChem CID 108613192) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
PubChem CID108613192
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(CCOC(C)C)C1c1cccc(OC)c1
InChIInChI=1S/C19H25NO5/c1-5-15(21)16-17(13-7-6-8-14(11-13)24-4)20(19(23)18(16)22)9-10-25-12(2)3/h6-8,11-12,17,22H,5,9-10H2,1-4H3
InChIKeyALRIWQXHLJZDDT-UHFFFAOYSA-N
XLogP2.79
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(diethylamino)ethyl]-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108578388
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108613168
4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-pentyl-2H-pyrrol-5-one
CID 108613971
4-hydroxy-3-propanoyl-1-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 108702788
(2S)-3-acetyl-1-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 7306596
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108596002
1-(4-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108577109
3-[3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid
CID 3140879
(2S)-3-acetyl-1-(2,2-dimethoxyethyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 1092492
1-[3-(dimethylamino)propyl]-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-3-propanoyl-2H-pyrrol-5-one
CID 108694219
1-(3,4-dimethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108577544
1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108666301

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one (CID 108613192) is 4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(CCOC(C)C)C1c1cccc(OC)c1.
What is the InChIKey of 4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The InChIKey is ALRIWQXHLJZDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-5-15(21)16-17(13-7-6-8-14(11-13)24-4)20(19(23)18(16)22)9-10-25-12(2)3/h6-8,11-12,17,22H,5,9-10H2,1-4H3.
What are the key properties of 4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one has a molecular weight of 347.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108613192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).