(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride

C7H14ClN — CID 86674493

IUPAC(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride
SMILESC1C[C@@H]2CCN[C@@H]2C1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-6-4-5-8-7(6)3-1;/h6-8H,1-5H2;1H/t6-,7-;/m1./s1
InChIKeyPQAJNJOXKMQYSI-ZJLYAJKPSA-N
MW147.65 g/mol
LogP1.57
Rot. Bonds

About (3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride

(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride (PubChem CID 86674493) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is (3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride.

Molecular Properties

Compound Name(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride
PubChem CID86674493
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride
SMILESC1C[C@@H]2CCN[C@@H]2C1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-6-4-5-8-7(6)3-1;/h6-8H,1-5H2;1H/t6-,7-;/m1./s1
InChIKeyPQAJNJOXKMQYSI-ZJLYAJKPSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride?
The IUPAC name of (3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride (CID 86674493) is (3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride.
What is the SMILES notation for (3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride?
The canonical SMILES for (3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride is C1C[C@@H]2CCN[C@@H]2C1.Cl.
What is the InChIKey of (3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride?
The InChIKey is PQAJNJOXKMQYSI-ZJLYAJKPSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-2-6-4-5-8-7(6)3-1;/h6-8H,1-5H2;1H/t6-,7-;/m1./s1.
What are the key properties of (3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride?
(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride is sourced from PubChem (CID 86674493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).