1-prop-2-enylidenepiperidin-1-ium

C8H14N+ — CID 71427214

IUPAC1-prop-2-enylidenepiperidin-1-ium
SMILESC=CC=[N+]1CCCCC1
InChIInChI=1S/C8H14N/c1-2-6-9-7-4-3-5-8-9/h2,6H,1,3-5,7-8H2/q+1
InChIKeyLCBVSCSCUMOOHS-UHFFFAOYSA-N
MW124.21 g/mol
LogP1.44
Rot. Bonds1

About 1-prop-2-enylidenepiperidin-1-ium

1-prop-2-enylidenepiperidin-1-ium (PubChem CID 71427214) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is 1-prop-2-enylidenepiperidin-1-ium.

Molecular Properties

Compound Name1-prop-2-enylidenepiperidin-1-ium
PubChem CID71427214
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Name1-prop-2-enylidenepiperidin-1-ium
SMILESC=CC=[N+]1CCCCC1
InChIInChI=1S/C8H14N/c1-2-6-9-7-4-3-5-8-9/h2,6H,1,3-5,7-8H2/q+1
InChIKeyLCBVSCSCUMOOHS-UHFFFAOYSA-N
XLogP1.44
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylidenepiperidin-1-ium?
The IUPAC name of 1-prop-2-enylidenepiperidin-1-ium (CID 71427214) is 1-prop-2-enylidenepiperidin-1-ium.
What is the SMILES notation for 1-prop-2-enylidenepiperidin-1-ium?
The canonical SMILES for 1-prop-2-enylidenepiperidin-1-ium is C=CC=[N+]1CCCCC1.
What is the InChIKey of 1-prop-2-enylidenepiperidin-1-ium?
The InChIKey is LCBVSCSCUMOOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N/c1-2-6-9-7-4-3-5-8-9/h2,6H,1,3-5,7-8H2/q+1.
What are the key properties of 1-prop-2-enylidenepiperidin-1-ium?
1-prop-2-enylidenepiperidin-1-ium has a molecular weight of 124.21 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylidenepiperidin-1-ium is sourced from PubChem (CID 71427214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).