5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one

C22H20N2O2 — CID 135898565

IUPAC5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one
SMILESCCCCn1c(O)c2c(c1-c1ccccc1)C(=O)N=C2c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-2-3-14-24-20(16-12-8-5-9-13-16)18-17(22(24)26)19(23-21(18)25)15-10-6-4-7-11-15/h4-13,26H,2-3,14H2,1H3
InChIKeyBZFVUJDSSDEDJZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.65
Rot. Bonds5

About 5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one

5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one (PubChem CID 135898565) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one.

Molecular Properties

Compound Name5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one
PubChem CID135898565
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one
SMILESCCCCn1c(O)c2c(c1-c1ccccc1)C(=O)N=C2c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-2-3-14-24-20(16-12-8-5-9-13-16)18-17(22(24)26)19(23-21(18)25)15-10-6-4-7-11-15/h4-13,26H,2-3,14H2,1H3
InChIKeyBZFVUJDSSDEDJZ-UHFFFAOYSA-N
XLogP4.65
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one
CID 137158258
1-(4-bromophenyl)-5-butyl-6-hydroxy-4-(2-methoxyphenyl)pyrrolo[3,4-c]pyrrol-3-one
CID 155343114
2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid
CID 10066284
1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 115946137
3-(5-fluoro-1-hexadecyl-2-hydroxyindol-3-yl)-6-(1-hexadecyl-2-hydroxyindol-3-yl)pyrazine-2,5-dione
CID 136952103
6-butyl-5-methyl-7-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 21496072
1-butyl-6-phenylpyrimidin-2-one
CID 102529038
1-butyl-6-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 3313719
2,3,5,6-tetraphenyl-1-propylpyridin-4-one
CID 73057320
2-amino-3-butylquinazolin-4-one
CID 71653207
1-butyl-2-phenylimidazole-4-carboxylic acid
CID 142669495
1-butyl-5-phenyltriazole-4-carboxylic acid
CID 82205223

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one?
The IUPAC name of 5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one (CID 135898565) is 5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one.
What is the SMILES notation for 5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one?
The canonical SMILES for 5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one is CCCCn1c(O)c2c(c1-c1ccccc1)C(=O)N=C2c1ccccc1.
What is the InChIKey of 5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one?
The InChIKey is BZFVUJDSSDEDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-3-14-24-20(16-12-8-5-9-13-16)18-17(22(24)26)19(23-21(18)25)15-10-6-4-7-11-15/h4-13,26H,2-3,14H2,1H3.
What are the key properties of 5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one?
5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one has a molecular weight of 344.41 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one is sourced from PubChem (CID 135898565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).