3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid

C8H11NO2 — CID 154144585

IUPAC3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
SMILESO=C(O)N1CC2=CCCC2C1
InChIInChI=1S/C8H11NO2/c10-8(11)9-4-6-2-1-3-7(6)5-9/h2,7H,1,3-5H2,(H,10,11)
InChIKeyRITNQQYAMLJUON-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.32
Rot. Bonds

About 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid

3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid (PubChem CID 154144585) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
PubChem CID154144585
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
SMILESO=C(O)N1CC2=CCCC2C1
InChIInChI=1S/C8H11NO2/c10-8(11)9-4-6-2-1-3-7(6)5-9/h2,7H,1,3-5H2,(H,10,11)
InChIKeyRITNQQYAMLJUON-UHFFFAOYSA-N
XLogP1.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The IUPAC name of 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid (CID 154144585) is 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid.
What is the SMILES notation for 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The canonical SMILES for 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid is O=C(O)N1CC2=CCCC2C1.
What is the InChIKey of 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The InChIKey is RITNQQYAMLJUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8(11)9-4-6-2-1-3-7(6)5-9/h2,7H,1,3-5H2,(H,10,11).
What are the key properties of 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid is sourced from PubChem (CID 154144585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).