[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol

C8H15NO — CID 3080563

IUPAC[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
SMILESOC[C@H]1CCN2CCC[C@@H]12
InChIInChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8+/m1/s1
InChIKeyLOFDEIYZIAVXHE-SFYZADRCSA-N
MW141.21 g/mol
LogP0.46
Rot. Bonds1

About [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol

[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol (PubChem CID 3080563) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol.

Molecular Properties

Compound Name[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
PubChem CID3080563
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
SMILESOC[C@H]1CCN2CCC[C@@H]12
InChIInChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8+/m1/s1
InChIKeyLOFDEIYZIAVXHE-SFYZADRCSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol?
The IUPAC name of [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol (CID 3080563) is [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol.
What is the SMILES notation for [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol?
The canonical SMILES for [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol is OC[C@H]1CCN2CCC[C@@H]12.
What is the InChIKey of [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol?
The InChIKey is LOFDEIYZIAVXHE-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8+/m1/s1.
What are the key properties of [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol?
[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol has a molecular weight of 141.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol is sourced from PubChem (CID 3080563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).