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

C13H14N2O2 — CID 54005237

IUPAC5-benzyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyrrole-4,6-diol
SMILESOc1c2c(c(O)n1Cc1ccccc1)NCC2
InChIInChI=1S/C13H14N2O2/c16-12-10-6-7-14-11(10)13(17)15(12)8-9-4-2-1-3-5-9/h1-5,14,16-17H,6-8H2
InChIKeyKOJSLDVWSAGALZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.92
Rot. Bonds2

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

5-benzyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyrrole-4,6-diol (PubChem CID 54005237) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-benzyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyrrole-4,6-diol.

Molecular Properties

Compound Name5-benzyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyrrole-4,6-diol
PubChem CID54005237
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-benzyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyrrole-4,6-diol
SMILESOc1c2c(c(O)n1Cc1ccccc1)NCC2
InChIInChI=1S/C13H14N2O2/c16-12-10-6-7-14-11(10)13(17)15(12)8-9-4-2-1-3-5-9/h1-5,14,16-17H,6-8H2
InChIKeyKOJSLDVWSAGALZ-UHFFFAOYSA-N
XLogP1.92
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyrrole-4,6-diol?
The IUPAC name of 5-benzyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyrrole-4,6-diol (CID 54005237) is 5-benzyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyrrole-4,6-diol.
What is the SMILES notation for 5-benzyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyrrole-4,6-diol?
The canonical SMILES for 5-benzyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyrrole-4,6-diol is Oc1c2c(c(O)n1Cc1ccccc1)NCC2.
What is the InChIKey of 5-benzyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyrrole-4,6-diol?
The InChIKey is KOJSLDVWSAGALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12-10-6-7-14-11(10)13(17)15(12)8-9-4-2-1-3-5-9/h1-5,14,16-17H,6-8H2.
What are the key properties of 5-benzyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyrrole-4,6-diol?
5-benzyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyrrole-4,6-diol has a molecular weight of 230.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyrrole-4,6-diol is sourced from PubChem (CID 54005237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).