1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one

C12H11Cl2NO2 — CID 13069714

IUPAC1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
SMILESCC1=C(C)C(O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C12H11Cl2NO2/c1-6-7(2)12(17)15(11(6)16)8-3-4-9(13)10(14)5-8/h3-5,11,16H,1-2H3
InChIKeyKZIVGGRWRGAQPI-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.99
Rot. Bonds1

About 1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one

1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one (PubChem CID 13069714) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
PubChem CID13069714
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Name1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
SMILESCC1=C(C)C(O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C12H11Cl2NO2/c1-6-7(2)12(17)15(11(6)16)8-3-4-9(13)10(14)5-8/h3-5,11,16H,1-2H3
InChIKeyKZIVGGRWRGAQPI-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one (CID 13069714) is 1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one is CC1=C(C)C(O)N(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The InChIKey is KZIVGGRWRGAQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c1-6-7(2)12(17)15(11(6)16)8-3-4-9(13)10(14)5-8/h3-5,11,16H,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one has a molecular weight of 272.13 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 13069714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).