[(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol

C8H15NO — CID 124660375

IUPAC[(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol
SMILESOC[C@]12CCC[C@H]1NCC2
InChIInChI=1S/C8H15NO/c10-6-8-3-1-2-7(8)9-5-4-8/h7,9-10H,1-6H2/t7-,8-/m1/s1
InChIKeyZIONUNNDRZAORK-HTQZYQBOSA-N
MW141.21 g/mol
LogP0.51
Rot. Bonds1

About [(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol

[(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol (PubChem CID 124660375) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol
PubChem CID124660375
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol
SMILESOC[C@]12CCC[C@H]1NCC2
InChIInChI=1S/C8H15NO/c10-6-8-3-1-2-7(8)9-5-4-8/h7,9-10H,1-6H2/t7-,8-/m1/s1
InChIKeyZIONUNNDRZAORK-HTQZYQBOSA-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 [(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol?
The IUPAC name of [(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol (CID 124660375) is [(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol.
What is the SMILES notation for [(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol?
The canonical SMILES for [(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol is OC[C@]12CCC[C@H]1NCC2.
What is the InChIKey of [(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol?
The InChIKey is ZIONUNNDRZAORK-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO/c10-6-8-3-1-2-7(8)9-5-4-8/h7,9-10H,1-6H2/t7-,8-/m1/s1.
What are the key properties of [(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol?
[(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-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 [(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methanol is sourced from PubChem (CID 124660375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).