1-oxido-1-prop-2-enylpiperidin-1-ium

C8H15NO — CID 11171027

IUPAC1-oxido-1-prop-2-enylpiperidin-1-ium
SMILESC=CC[N+]1([O-])CCCCC1
InChIInChI=1S/C8H15NO/c1-2-6-9(10)7-4-3-5-8-9/h2H,1,3-8H2
InChIKeyINAAKIXZWFWQHT-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.67
Rot. Bonds2

About 1-oxido-1-prop-2-enylpiperidin-1-ium

1-oxido-1-prop-2-enylpiperidin-1-ium (PubChem CID 11171027) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-oxido-1-prop-2-enylpiperidin-1-ium.

Molecular Properties

Compound Name1-oxido-1-prop-2-enylpiperidin-1-ium
PubChem CID11171027
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-oxido-1-prop-2-enylpiperidin-1-ium
SMILESC=CC[N+]1([O-])CCCCC1
InChIInChI=1S/C8H15NO/c1-2-6-9(10)7-4-3-5-8-9/h2H,1,3-8H2
InChIKeyINAAKIXZWFWQHT-UHFFFAOYSA-N
XLogP1.67
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-oxido-1-prop-2-enylpiperidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-oxido-1-prop-2-enylpiperidin-1-ium?
The IUPAC name of 1-oxido-1-prop-2-enylpiperidin-1-ium (CID 11171027) is 1-oxido-1-prop-2-enylpiperidin-1-ium.
What is the SMILES notation for 1-oxido-1-prop-2-enylpiperidin-1-ium?
The canonical SMILES for 1-oxido-1-prop-2-enylpiperidin-1-ium is C=CC[N+]1([O-])CCCCC1.
What is the InChIKey of 1-oxido-1-prop-2-enylpiperidin-1-ium?
The InChIKey is INAAKIXZWFWQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-6-9(10)7-4-3-5-8-9/h2H,1,3-8H2.
What are the key properties of 1-oxido-1-prop-2-enylpiperidin-1-ium?
1-oxido-1-prop-2-enylpiperidin-1-ium has a molecular weight of 141.21 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-1-prop-2-enylpiperidin-1-ium is sourced from PubChem (CID 11171027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).