2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol

C8H15NO — CID 544380

IUPAC2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol
SMILESOCC1CCN2CCCC12
InChIInChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2
InChIKeyLOFDEIYZIAVXHE-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.46
Rot. Bonds1

About 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol

2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol (PubChem CID 544380) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol
PubChem CID544380
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol
SMILESOCC1CCN2CCCC12
InChIInChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2
InChIKeyLOFDEIYZIAVXHE-UHFFFAOYSA-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 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol?
The IUPAC name of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol (CID 544380) is 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol is OCC1CCN2CCCC12.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol?
The InChIKey is LOFDEIYZIAVXHE-UHFFFAOYSA-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.
What are the key properties of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol?
2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol 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 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanol is sourced from PubChem (CID 544380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).