3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C19H24N2O6 — CID 3140928

IUPAC3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(C)=O)=C(O)C(=O)N2CCN2CCOCC2)ccc1O
InChIInChI=1S/C19H24N2O6/c1-12(22)16-17(13-3-4-14(23)15(11-13)26-2)21(19(25)18(16)24)6-5-20-7-9-27-10-8-20/h3-4,11,17,23-24H,5-10H2,1-2H3
InChIKeyOVLXIQJVCKZUFX-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.02
Rot. Bonds6

About 3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 3140928) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID3140928
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(C)=O)=C(O)C(=O)N2CCN2CCOCC2)ccc1O
InChIInChI=1S/C19H24N2O6/c1-12(22)16-17(13-3-4-14(23)15(11-13)26-2)21(19(25)18(16)24)6-5-20-7-9-27-10-8-20/h3-4,11,17,23-24H,5-10H2,1-2H3
InChIKeyOVLXIQJVCKZUFX-UHFFFAOYSA-N
XLogP1.02
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 3140928) is 3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is COc1cc(C2C(C(C)=O)=C(O)C(=O)N2CCN2CCOCC2)ccc1O.
What is the InChIKey of 3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is OVLXIQJVCKZUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-12(22)16-17(13-3-4-14(23)15(11-13)26-2)21(19(25)18(16)24)6-5-20-7-9-27-10-8-20/h3-4,11,17,23-24H,5-10H2,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 376.41 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3140928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).