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

C8H16ClNO — CID 12691221

IUPAC1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride
SMILESCl.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.ClH/c10-7-8-3-1-5-9(8)6-2-4-8;/h10H,1-7H2;1H
InChIKeyBIQIGOQHBCHKGO-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.03
Rot. Bonds1

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

1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride (PubChem CID 12691221) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride
PubChem CID12691221
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride
SMILESCl.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.ClH/c10-7-8-3-1-5-9(8)6-2-4-8;/h10H,1-7H2;1H
InChIKeyBIQIGOQHBCHKGO-UHFFFAOYSA-N
XLogP1.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.03
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;hydrochloride?
The IUPAC name of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride (CID 12691221) is 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride.
What is the SMILES notation for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride?
The canonical SMILES for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride is Cl.OCC12CCCN1CCC2.
What is the InChIKey of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride?
The InChIKey is BIQIGOQHBCHKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c10-7-8-3-1-5-9(8)6-2-4-8;/h10H,1-7H2;1H.
What are the key properties of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride?
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.03, 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;hydrochloride is sourced from PubChem (CID 12691221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).