(3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride

C7H14ClNO — CID 178189927

IUPAC(3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride
SMILESCl.O[C@H]1CC[C@H]2CCN[C@H]21
InChIInChI=1S/C7H13NO.ClH/c9-6-2-1-5-3-4-8-7(5)6;/h5-9H,1-4H2;1H/t5-,6-,7+;/m0./s1
InChIKeyPBDFQQDTULVCQA-LBZPYWGZSA-N
MW163.65 g/mol
LogP0.54
Rot. Bonds

About (3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride

(3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride (PubChem CID 178189927) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride.

Molecular Properties

Compound Name(3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride
PubChem CID178189927
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride
SMILESCl.O[C@H]1CC[C@H]2CCN[C@H]21
InChIInChI=1S/C7H13NO.ClH/c9-6-2-1-5-3-4-8-7(5)6;/h5-9H,1-4H2;1H/t5-,6-,7+;/m0./s1
InChIKeyPBDFQQDTULVCQA-LBZPYWGZSA-N
XLogP0.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride?
The IUPAC name of (3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride (CID 178189927) is (3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride.
What is the SMILES notation for (3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride?
The canonical SMILES for (3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride is Cl.O[C@H]1CC[C@H]2CCN[C@H]21.
What is the InChIKey of (3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride?
The InChIKey is PBDFQQDTULVCQA-LBZPYWGZSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c9-6-2-1-5-3-4-8-7(5)6;/h5-9H,1-4H2;1H/t5-,6-,7+;/m0./s1.
What are the key properties of (3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride?
(3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol;hydrochloride is sourced from PubChem (CID 178189927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).