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

C7H14ClN — CID 89253392

IUPAC1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride
SMILESC1CC2CCNC2C1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-6-4-5-8-7(6)3-1;/h6-8H,1-5H2;1H
InChIKeyPQAJNJOXKMQYSI-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.57
Rot. Bonds

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

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride (PubChem CID 89253392) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride
PubChem CID89253392
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride
SMILESC1CC2CCNC2C1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-6-4-5-8-7(6)3-1;/h6-8H,1-5H2;1H
InChIKeyPQAJNJOXKMQYSI-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride (CID 89253392) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride is C1CC2CCNC2C1.Cl.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride?
The InChIKey is PQAJNJOXKMQYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-2-6-4-5-8-7(6)3-1;/h6-8H,1-5H2;1H.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride?
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 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride is sourced from PubChem (CID 89253392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).