1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one

C11H9Cl2NO2 — CID 174636780

IUPAC1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one
SMILESO=C1CC(O)=CN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2NO2/c12-8-2-1-7(10(13)3-8)5-14-6-9(15)4-11(14)16/h1-3,6,15H,4-5H2
InChIKeyAIVXONZDJHZBJN-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.13
Rot. Bonds2

About 1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one

1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one (PubChem CID 174636780) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one
PubChem CID174636780
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one
SMILESO=C1CC(O)=CN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2NO2/c12-8-2-1-7(10(13)3-8)5-14-6-9(15)4-11(14)16/h1-3,6,15H,4-5H2
InChIKeyAIVXONZDJHZBJN-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one (CID 174636780) is 1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one is O=C1CC(O)=CN1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one?
The InChIKey is AIVXONZDJHZBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c12-8-2-1-7(10(13)3-8)5-14-6-9(15)4-11(14)16/h1-3,6,15H,4-5H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one?
1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one has a molecular weight of 258.10 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one is sourced from PubChem (CID 174636780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).