3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol

C10H19NO — CID 71389046

IUPAC3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol
SMILESOCCCC1CCC2CCCN12
InChIInChI=1S/C10H19NO/c12-8-2-4-10-6-5-9-3-1-7-11(9)10/h9-10,12H,1-8H2
InChIKeyMAAFWIIHIQOLHG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.39
Rot. Bonds3

About 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol

3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol (PubChem CID 71389046) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol
PubChem CID71389046
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol
SMILESOCCCC1CCC2CCCN12
InChIInChI=1S/C10H19NO/c12-8-2-4-10-6-5-9-3-1-7-11(9)10/h9-10,12H,1-8H2
InChIKeyMAAFWIIHIQOLHG-UHFFFAOYSA-N
XLogP1.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol?
The IUPAC name of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol (CID 71389046) is 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol?
The canonical SMILES for 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol is OCCCC1CCC2CCCN12.
What is the InChIKey of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol?
The InChIKey is MAAFWIIHIQOLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c12-8-2-4-10-6-5-9-3-1-7-11(9)10/h9-10,12H,1-8H2.
What are the key properties of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol?
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol is sourced from PubChem (CID 71389046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).