1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one

C13H9ClN2O2 — CID 136623416

IUPAC1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one
SMILESCC1=NC(=O)c2c(-c3ccc(Cl)cc3)[nH]c(O)c21
InChIInChI=1S/C13H9ClN2O2/c1-6-9-10(13(18)15-6)11(16-12(9)17)7-2-4-8(14)5-3-7/h2-5,16-17H,1H3
InChIKeyNDJVIJNPIZVCNL-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.00
Rot. Bonds1

About 1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one

1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one (PubChem CID 136623416) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one
PubChem CID136623416
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one
SMILESCC1=NC(=O)c2c(-c3ccc(Cl)cc3)[nH]c(O)c21
InChIInChI=1S/C13H9ClN2O2/c1-6-9-10(13(18)15-6)11(16-12(9)17)7-2-4-8(14)5-3-7/h2-5,16-17H,1H3
InChIKeyNDJVIJNPIZVCNL-UHFFFAOYSA-N
XLogP3.00
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one?
The IUPAC name of 1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one (CID 136623416) is 1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one is CC1=NC(=O)c2c(-c3ccc(Cl)cc3)[nH]c(O)c21.
What is the InChIKey of 1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one?
The InChIKey is NDJVIJNPIZVCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c1-6-9-10(13(18)15-6)11(16-12(9)17)7-2-4-8(14)5-3-7/h2-5,16-17H,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one?
1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one has a molecular weight of 260.68 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one is sourced from PubChem (CID 136623416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).