4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one

C20H27NO5 — CID 108636016

IUPAC4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)C(C)C)=C(O)C(=O)N2CCOC)cc1
InChIInChI=1S/C20H27NO5/c1-5-11-26-15-8-6-14(7-9-15)17-16(18(22)13(2)3)19(23)20(24)21(17)10-12-25-4/h6-9,13,17,23H,5,10-12H2,1-4H3
InChIKeyAUNHNYUPVDFTIQ-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.04
Rot. Bonds9

About 4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one

4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108636016) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
PubChem CID108636016
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Name4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)C(C)C)=C(O)C(=O)N2CCOC)cc1
InChIInChI=1S/C20H27NO5/c1-5-11-26-15-8-6-14(7-9-15)17-16(18(22)13(2)3)19(23)20(24)21(17)10-12-25-4/h6-9,13,17,23H,5,10-12H2,1-4H3
InChIKeyAUNHNYUPVDFTIQ-UHFFFAOYSA-N
XLogP3.04
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 4697111
4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methoxypropyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108617473
1-cyclopentyl-4-hydroxy-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 108595736
4-hydroxy-1-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108612096
4-hydroxy-1-(3-methoxypropyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 6189906
4-hydroxy-1-(2-methoxyethyl)-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108643678
4-hydroxy-3-(2-methylpropanoyl)-1-pentyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635042
1-butyl-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108649783
2-(4-hexoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 6189883
2-(4-butoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 4866241
(2S)-2-(4-butoxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 7381804
(4Z)-4-[hydroxy-(4-propoxyphenyl)methylidene]-1-(2-methoxyethyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108612086

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one (CID 108636016) is 4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1ccc(C2C(C(=O)C(C)C)=C(O)C(=O)N2CCOC)cc1.
What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is AUNHNYUPVDFTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5/c1-5-11-26-15-8-6-14(7-9-15)17-16(18(22)13(2)3)19(23)20(24)21(17)10-12-25-4/h6-9,13,17,23H,5,10-12H2,1-4H3.
What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 361.44 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108636016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).