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

C7H14ClN — CID 67080793

IUPAC(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
SMILESC1C[C@@H]2CNC[C@@H]2C1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-6-4-8-5-7(6)3-1;/h6-8H,1-5H2;1H/t6-,7+;
InChIKeyHVZRRRPCVOJOLJ-UKMDXRBESA-N
MW147.65 g/mol
LogP1.43
Rot. Bonds

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

(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride (PubChem CID 67080793) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride.

Molecular Properties

Compound Name(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
PubChem CID67080793
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
SMILESC1C[C@@H]2CNC[C@@H]2C1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-6-4-8-5-7(6)3-1;/h6-8H,1-5H2;1H/t6-,7+;
InChIKeyHVZRRRPCVOJOLJ-UKMDXRBESA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride?
The IUPAC name of (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride (CID 67080793) is (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride.
What is the SMILES notation for (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride?
The canonical SMILES for (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride is C1C[C@@H]2CNC[C@@H]2C1.Cl.
What is the InChIKey of (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride?
The InChIKey is HVZRRRPCVOJOLJ-UKMDXRBESA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-2-6-4-8-5-7(6)3-1;/h6-8H,1-5H2;1H/t6-,7+;.
What are the key properties of (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride?
(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride is sourced from PubChem (CID 67080793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).