3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

C19H17NO4S — CID 146023647

IUPAC3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2cccs2)C1c1ccc(O)cc1)C1CC1
InChIInChI=1S/C19H17NO4S/c21-13-7-5-11(6-8-13)16-15(17(22)12-3-4-12)18(23)19(24)20(16)10-14-2-1-9-25-14/h1-2,5-9,12,16,21,23H,3-4,10H2
InChIKeyCOIOHEGZAOICKX-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.33
Rot. Bonds5

About 3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 146023647) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID146023647
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2cccs2)C1c1ccc(O)cc1)C1CC1
InChIInChI=1S/C19H17NO4S/c21-13-7-5-11(6-8-13)16-15(17(22)12-3-4-12)18(23)19(24)20(16)10-14-2-1-9-25-14/h1-2,5-9,12,16,21,23H,3-4,10H2
InChIKeyCOIOHEGZAOICKX-UHFFFAOYSA-N
XLogP3.33
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-propanoyl-2-pyridin-4-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108632042
2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108641843
4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108621827
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,3-dione
CID 108616126
4-hydroxy-3-propanoyl-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108624986
(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,3-dione
CID 108616130
(2S)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 30845141
3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108652917
3-(cyclopropanecarbonyl)-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792757
2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 146023819
4-hydroxy-2-(4-hydroxyphenyl)-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3400190
2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108644329

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (CID 146023647) is 3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2cccs2)C1c1ccc(O)cc1)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is COIOHEGZAOICKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-13-7-5-11(6-8-13)16-15(17(22)12-3-4-12)18(23)19(24)20(16)10-14-2-1-9-25-14/h1-2,5-9,12,16,21,23H,3-4,10H2.
What are the key properties of 3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 355.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 146023647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).