2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol

C21H22N2O2 — CID 90777921

IUPAC2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol
SMILESC[C@H](c1ccccc1)n1c(O)c2c(c1O)CN(Cc1ccccc1)C2
InChIInChI=1S/C21H22N2O2/c1-15(17-10-6-3-7-11-17)23-20(24)18-13-22(14-19(18)21(23)25)12-16-8-4-2-5-9-16/h2-11,15,24-25H,12-14H2,1H3/t15-/m1/s1
InChIKeyBTWBLIYLGWBFEG-OAHLLOKOSA-N
MW334.42 g/mol
LogP4.02
Rot. Bonds4

About 2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol

2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol (PubChem CID 90777921) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol.

Molecular Properties

Compound Name2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol
PubChem CID90777921
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol
SMILESC[C@H](c1ccccc1)n1c(O)c2c(c1O)CN(Cc1ccccc1)C2
InChIInChI=1S/C21H22N2O2/c1-15(17-10-6-3-7-11-17)23-20(24)18-13-22(14-19(18)21(23)25)12-16-8-4-2-5-9-16/h2-11,15,24-25H,12-14H2,1H3/t15-/m1/s1
InChIKeyBTWBLIYLGWBFEG-OAHLLOKOSA-N
XLogP4.02
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol?
The IUPAC name of 2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol (CID 90777921) is 2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol.
What is the SMILES notation for 2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol?
The canonical SMILES for 2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol is C[C@H](c1ccccc1)n1c(O)c2c(c1O)CN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol?
The InChIKey is BTWBLIYLGWBFEG-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15(17-10-6-3-7-11-17)23-20(24)18-13-22(14-19(18)21(23)25)12-16-8-4-2-5-9-16/h2-11,15,24-25H,12-14H2,1H3/t15-/m1/s1.
What are the key properties of 2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol?
2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol has a molecular weight of 334.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(1R)-1-phenylethyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-diol is sourced from PubChem (CID 90777921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).