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

C8H15NO — CID 13013221

IUPAC2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethanol
SMILESOCC1CCC2CCCN12
InChIInChI=1S/C8H15NO/c10-6-8-4-3-7-2-1-5-9(7)8/h7-8,10H,1-6H2
InChIKeyQDMDCGZXSSNONP-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.61
Rot. Bonds1

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

2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethanol (PubChem CID 13013221) 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-3-ylmethanol.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethanol
PubChem CID13013221
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethanol
SMILESOCC1CCC2CCCN12
InChIInChI=1S/C8H15NO/c10-6-8-4-3-7-2-1-5-9(7)8/h7-8,10H,1-6H2
InChIKeyQDMDCGZXSSNONP-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 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethanol?
The IUPAC name of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethanol (CID 13013221) is 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethanol.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethanol?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethanol is OCC1CCC2CCCN12.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethanol?
The InChIKey is QDMDCGZXSSNONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c10-6-8-4-3-7-2-1-5-9(7)8/h7-8,10H,1-6H2.
What are the key properties of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethanol?
2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-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 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethanol is sourced from PubChem (CID 13013221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).