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

C21H18N2O2 — CID 155119154

IUPAC1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one
SMILESCCc1ccc(-c2[nH]c(O)c3c2C(=O)N=C3c2ccc(C)cc2)cc1
InChIInChI=1S/C21H18N2O2/c1-3-13-6-10-15(11-7-13)19-17-16(20(24)23-19)18(22-21(17)25)14-8-4-12(2)5-9-14/h4-11,23-24H,3H2,1-2H3
InChIKeyILTRHOSHMFZGEH-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.25
Rot. Bonds3

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

1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one (PubChem CID 155119154) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one
PubChem CID155119154
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one
SMILESCCc1ccc(-c2[nH]c(O)c3c2C(=O)N=C3c2ccc(C)cc2)cc1
InChIInChI=1S/C21H18N2O2/c1-3-13-6-10-15(11-7-13)19-17-16(20(24)23-19)18(22-21(17)25)14-8-4-12(2)5-9-14/h4-11,23-24H,3H2,1-2H3
InChIKeyILTRHOSHMFZGEH-UHFFFAOYSA-N
XLogP4.25
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one?
The IUPAC name of 1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one (CID 155119154) is 1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one.
What is the SMILES notation for 1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one?
The canonical SMILES for 1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one is CCc1ccc(-c2[nH]c(O)c3c2C(=O)N=C3c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one?
The InChIKey is ILTRHOSHMFZGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-3-13-6-10-15(11-7-13)19-17-16(20(24)23-19)18(22-21(17)25)14-8-4-12(2)5-9-14/h4-11,23-24H,3H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one?
1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one has a molecular weight of 330.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one is sourced from PubChem (CID 155119154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).