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

C8H15NO — CID 14690414

IUPAC[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol
SMILESOC[C@@H]1C[C@@H]2CCC[C@@H]2N1
InChIInChI=1S/C8H15NO/c10-5-7-4-6-2-1-3-8(6)9-7/h6-10H,1-5H2/t6-,7-,8-/m0/s1
InChIKeyXXKIUXSAULZREZ-FXQIFTODSA-N
MW141.21 g/mol
LogP0.51
Rot. Bonds1

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

[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol (PubChem CID 14690414) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol
PubChem CID14690414
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol
SMILESOC[C@@H]1C[C@@H]2CCC[C@@H]2N1
InChIInChI=1S/C8H15NO/c10-5-7-4-6-2-1-3-8(6)9-7/h6-10H,1-5H2/t6-,7-,8-/m0/s1
InChIKeyXXKIUXSAULZREZ-FXQIFTODSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.51
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?
The IUPAC name of [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol (CID 14690414) is [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol.
What is the SMILES notation for [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol?
The canonical SMILES for [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol is 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?
The InChIKey is XXKIUXSAULZREZ-FXQIFTODSA-N. The full InChI is InChI=1S/C8H15NO/c10-5-7-4-6-2-1-3-8(6)9-7/h6-10H,1-5H2/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?
[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol has a molecular weight of 141.21 g/mol, XLogP of 0.51, 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 is sourced from PubChem (CID 14690414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).