8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride

C9H18FN — CID 168881533

IUPAC8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride
SMILESCCC12CCCN1CCC2.F
InChIInChI=1S/C9H17N.FH/c1-2-9-5-3-7-10(9)8-4-6-9;/h2-8H2,1H3;1H
InChIKeyKCVXKACSJYEZKB-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.18
Rot. Bonds1

About 8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride

8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride (PubChem CID 168881533) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride.

Molecular Properties

Compound Name8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride
PubChem CID168881533
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride
SMILESCCC12CCCN1CCC2.F
InChIInChI=1S/C9H17N.FH/c1-2-9-5-3-7-10(9)8-4-6-9;/h2-8H2,1H3;1H
InChIKeyKCVXKACSJYEZKB-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride?
The IUPAC name of 8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride (CID 168881533) is 8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride.
What is the SMILES notation for 8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride?
The canonical SMILES for 8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride is CCC12CCCN1CCC2.F.
What is the InChIKey of 8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride?
The InChIKey is KCVXKACSJYEZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.FH/c1-2-9-5-3-7-10(9)8-4-6-9;/h2-8H2,1H3;1H.
What are the key properties of 8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride?
8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride has a molecular weight of 159.25 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride is sourced from PubChem (CID 168881533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).