3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one

C15H17Cl2NO4 — CID 139859736

IUPAC3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one
SMILESCCC1(C)C(O)=C(c2ccc(Cl)cc2Cl)C(=O)N1OCOC
InChIInChI=1S/C15H17Cl2NO4/c1-4-15(2)13(19)12(14(20)18(15)22-8-21-3)10-6-5-9(16)7-11(10)17/h5-7,19H,4,8H2,1-3H3
InChIKeyUXVLKZDFIFIYQT-UHFFFAOYSA-N
MW346.21 g/mol
LogP3.81
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one

3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one (PubChem CID 139859736) has the molecular formula C15H17Cl2NO4 and a molecular weight of 346.21 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one
PubChem CID139859736
Molecular FormulaC15H17Cl2NO4
Molecular Weight346.21 g/mol
Exact Mass345.05
IUPAC Name3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one
SMILESCCC1(C)C(O)=C(c2ccc(Cl)cc2Cl)C(=O)N1OCOC
InChIInChI=1S/C15H17Cl2NO4/c1-4-15(2)13(19)12(14(20)18(15)22-8-21-3)10-6-5-9(16)7-11(10)17/h5-7,19H,4,8H2,1-3H3
InChIKeyUXVLKZDFIFIYQT-UHFFFAOYSA-N
XLogP3.81
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one (CID 139859736) is 3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one is CCC1(C)C(O)=C(c2ccc(Cl)cc2Cl)C(=O)N1OCOC.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one?
The InChIKey is UXVLKZDFIFIYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO4/c1-4-15(2)13(19)12(14(20)18(15)22-8-21-3)10-6-5-9(16)7-11(10)17/h5-7,19H,4,8H2,1-3H3.
What are the key properties of 3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one?
3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one has a molecular weight of 346.21 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-ethyl-4-hydroxy-1-(methoxymethoxy)-5-methylpyrrol-2-one is sourced from PubChem (CID 139859736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).