1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid

C15H15NO2 — CID 10060244

IUPAC1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2c(n1Cc1ccccc1)CCC2
InChIInChI=1S/C15H15NO2/c17-15(18)14-9-12-7-4-8-13(12)16(14)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,17,18)
InChIKeyOTBPAULHOBIMNN-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.72
Rot. Bonds3

About 1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid

1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid (PubChem CID 10060244) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid
PubChem CID10060244
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2c(n1Cc1ccccc1)CCC2
InChIInChI=1S/C15H15NO2/c17-15(18)14-9-12-7-4-8-13(12)16(14)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,17,18)
InChIKeyOTBPAULHOBIMNN-UHFFFAOYSA-N
XLogP2.72
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid?
The IUPAC name of 1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid (CID 10060244) is 1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid is O=C(O)c1cc2c(n1Cc1ccccc1)CCC2.
What is the InChIKey of 1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid?
The InChIKey is OTBPAULHOBIMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-15(18)14-9-12-7-4-8-13(12)16(14)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,17,18).
What are the key properties of 1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid?
1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 10060244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).