2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride

C8H12ClNO2 — CID 57358874

IUPAC2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC2CCCC2=N1
InChIInChI=1S/C8H11NO2.ClH/c10-8(11)7-4-5-2-1-3-6(5)9-7;/h5,7H,1-4H2,(H,10,11);1H
InChIKeyHAFCPLKGNSHSBQ-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.51
Rot. Bonds1

About 2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride

2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride (PubChem CID 57358874) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride
PubChem CID57358874
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC2CCCC2=N1
InChIInChI=1S/C8H11NO2.ClH/c10-8(11)7-4-5-2-1-3-6(5)9-7;/h5,7H,1-4H2,(H,10,11);1H
InChIKeyHAFCPLKGNSHSBQ-UHFFFAOYSA-N
XLogP1.51
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride?
The IUPAC name of 2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride (CID 57358874) is 2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CC2CCCC2=N1.
What is the InChIKey of 2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride?
The InChIKey is HAFCPLKGNSHSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.ClH/c10-8(11)7-4-5-2-1-3-6(5)9-7;/h5,7H,1-4H2,(H,10,11);1H.
What are the key properties of 2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride?
2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride has a molecular weight of 189.64 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 57358874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).