2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol

C19H18N2O2 — CID 90825798

IUPAC2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol
SMILESOc1c2c(c(O)n1-c1ccccc1)CN(Cc1ccccc1)C2
InChIInChI=1S/C19H18N2O2/c22-18-16-12-20(11-14-7-3-1-4-8-14)13-17(16)19(23)21(18)15-9-5-2-6-10-15/h1-10,22-23H,11-13H2
InChIKeyPRMJSABGKLJEPB-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.40
Rot. Bonds3

About 2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol

2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol (PubChem CID 90825798) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol.

Molecular Properties

Compound Name2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol
PubChem CID90825798
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol
SMILESOc1c2c(c(O)n1-c1ccccc1)CN(Cc1ccccc1)C2
InChIInChI=1S/C19H18N2O2/c22-18-16-12-20(11-14-7-3-1-4-8-14)13-17(16)19(23)21(18)15-9-5-2-6-10-15/h1-10,22-23H,11-13H2
InChIKeyPRMJSABGKLJEPB-UHFFFAOYSA-N
XLogP3.40
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol?
The IUPAC name of 2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol (CID 90825798) is 2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol.
What is the SMILES notation for 2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol?
The canonical SMILES for 2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol is Oc1c2c(c(O)n1-c1ccccc1)CN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol?
The InChIKey is PRMJSABGKLJEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-18-16-12-20(11-14-7-3-1-4-8-14)13-17(16)19(23)21(18)15-9-5-2-6-10-15/h1-10,22-23H,11-13H2.
What are the key properties of 2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol?
2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol has a molecular weight of 306.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-phenyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol is sourced from PubChem (CID 90825798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).