1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol

C8H15NO — CID 10844475

IUPAC1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
SMILESOCC12CCCN1CCC2
InChIInChI=1S/C8H15NO/c10-7-8-3-1-5-9(8)6-2-4-8/h10H,1-7H2
InChIKeyAHPVHEAQLFAZOC-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.61
Rot. Bonds1

About 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol

1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol (PubChem CID 10844475) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
PubChem CID10844475
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
SMILESOCC12CCCN1CCC2
InChIInChI=1S/C8H15NO/c10-7-8-3-1-5-9(8)6-2-4-8/h10H,1-7H2
InChIKeyAHPVHEAQLFAZOC-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The IUPAC name of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol (CID 10844475) is 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol.
What is the SMILES notation for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The canonical SMILES for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol is OCC12CCCN1CCC2.
What is the InChIKey of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The InChIKey is AHPVHEAQLFAZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c10-7-8-3-1-5-9(8)6-2-4-8/h10H,1-7H2.
What are the key properties of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol has a molecular weight of 141.21 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol is sourced from PubChem (CID 10844475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).