5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol

C12H12N2O2 — CID 90951245

IUPAC5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol
SMILESOc1c2c(c(O)n1-c1ccccc1)CNC2
InChIInChI=1S/C12H12N2O2/c15-11-9-6-13-7-10(9)12(16)14(11)8-4-2-1-3-5-8/h1-5,13,15-16H,6-7H2
InChIKeyIYMDSTMPDQYZKO-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.49
Rot. Bonds1

About 5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol

5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol (PubChem CID 90951245) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol.

Molecular Properties

Compound Name5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol
PubChem CID90951245
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol
SMILESOc1c2c(c(O)n1-c1ccccc1)CNC2
InChIInChI=1S/C12H12N2O2/c15-11-9-6-13-7-10(9)12(16)14(11)8-4-2-1-3-5-8/h1-5,13,15-16H,6-7H2
InChIKeyIYMDSTMPDQYZKO-UHFFFAOYSA-N
XLogP1.49
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol?
The IUPAC name of 5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol (CID 90951245) is 5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol.
What is the SMILES notation for 5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol?
The canonical SMILES for 5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol is Oc1c2c(c(O)n1-c1ccccc1)CNC2.
What is the InChIKey of 5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol?
The InChIKey is IYMDSTMPDQYZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11-9-6-13-7-10(9)12(16)14(11)8-4-2-1-3-5-8/h1-5,13,15-16H,6-7H2.
What are the key properties of 5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol?
5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol has a molecular weight of 216.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-diol is sourced from PubChem (CID 90951245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).