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

C18H22N2O4 — CID 568025

IUPAC3-acetyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccc1
InChIInChI=1S/C18H22N2O4/c1-13(21)15-16(14-5-3-2-4-6-14)20(18(23)17(15)22)8-7-19-9-11-24-12-10-19/h2-6,16,22H,7-12H2,1H3
InChIKeyACCRQIAOUWGZJF-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.30
Rot. Bonds5

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

3-acetyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 568025) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one
PubChem CID568025
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-acetyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccc1
InChIInChI=1S/C18H22N2O4/c1-13(21)15-16(14-5-3-2-4-6-14)20(18(23)17(15)22)8-7-19-9-11-24-12-10-19/h2-6,16,22H,7-12H2,1H3
InChIKeyACCRQIAOUWGZJF-UHFFFAOYSA-N
XLogP1.30
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one (CID 568025) is 3-acetyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccc1.
What is the InChIKey of 3-acetyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is ACCRQIAOUWGZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13(21)15-16(14-5-3-2-4-6-14)20(18(23)17(15)22)8-7-19-9-11-24-12-10-19/h2-6,16,22H,7-12H2,1H3.
What are the key properties of 3-acetyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one?
3-acetyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 330.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 568025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).