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

C8H16ClNO — CID 69129086

IUPAC[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1C[C@@H]2CCC[C@@H]2N1
InChIInChI=1S/C8H15NO.ClH/c10-5-7-4-6-2-1-3-8(6)9-7;/h6-10H,1-5H2;1H/t6-,7-,8-;/m0./s1
InChIKeyMIBZESIRGSZTEU-WQYNNSOESA-N
MW177.67 g/mol
LogP0.93
Rot. Bonds1

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

[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol;hydrochloride (PubChem CID 69129086) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol;hydrochloride
PubChem CID69129086
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1C[C@@H]2CCC[C@@H]2N1
InChIInChI=1S/C8H15NO.ClH/c10-5-7-4-6-2-1-3-8(6)9-7;/h6-10H,1-5H2;1H/t6-,7-,8-;/m0./s1
InChIKeyMIBZESIRGSZTEU-WQYNNSOESA-N
XLogP0.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol;hydrochloride?
The IUPAC name of [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol;hydrochloride (CID 69129086) is [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol;hydrochloride is Cl.OC[C@@H]1C[C@@H]2CCC[C@@H]2N1.
What is the InChIKey of [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol;hydrochloride?
The InChIKey is MIBZESIRGSZTEU-WQYNNSOESA-N. The full InChI is InChI=1S/C8H15NO.ClH/c10-5-7-4-6-2-1-3-8(6)9-7;/h6-10H,1-5H2;1H/t6-,7-,8-;/m0./s1.
What are the key properties of [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol;hydrochloride?
[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol;hydrochloride is sourced from PubChem (CID 69129086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).