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

C14H15NO2 — CID 57167775

IUPAC2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol
SMILESOc1c2c(c(O)n1Cc1ccccc1)CCC2
InChIInChI=1S/C14H15NO2/c16-13-11-7-4-8-12(11)14(17)15(13)9-10-5-2-1-3-6-10/h1-3,5-6,16-17H,4,7-9H2
InChIKeyWHWMPMOHMPDSOE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.44
Rot. Bonds2

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

2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol (PubChem CID 57167775) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol.

Molecular Properties

Compound Name2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol
PubChem CID57167775
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol
SMILESOc1c2c(c(O)n1Cc1ccccc1)CCC2
InChIInChI=1S/C14H15NO2/c16-13-11-7-4-8-12(11)14(17)15(13)9-10-5-2-1-3-6-10/h1-3,5-6,16-17H,4,7-9H2
InChIKeyWHWMPMOHMPDSOE-UHFFFAOYSA-N
XLogP2.44
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol?
The IUPAC name of 2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol (CID 57167775) is 2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol.
What is the SMILES notation for 2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol?
The canonical SMILES for 2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol is Oc1c2c(c(O)n1Cc1ccccc1)CCC2.
What is the InChIKey of 2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol?
The InChIKey is WHWMPMOHMPDSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-13-11-7-4-8-12(11)14(17)15(13)9-10-5-2-1-3-6-10/h1-3,5-6,16-17H,4,7-9H2.
What are the key properties of 2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol?
2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol has a molecular weight of 229.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-diol is sourced from PubChem (CID 57167775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).