3-(prop-2-enoxymethylidene)piperidine

C9H15NO — CID 141256907

IUPAC3-(prop-2-enoxymethylidene)piperidine
SMILESC=CCOC=C1CCCNC1
InChIInChI=1S/C9H15NO/c1-2-6-11-8-9-4-3-5-10-7-9/h2,8,10H,1,3-7H2
InChIKeyHIFZBXUNWWPDHL-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.46
Rot. Bonds3

About 3-(prop-2-enoxymethylidene)piperidine

3-(prop-2-enoxymethylidene)piperidine (PubChem CID 141256907) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-(prop-2-enoxymethylidene)piperidine.

Molecular Properties

Compound Name3-(prop-2-enoxymethylidene)piperidine
PubChem CID141256907
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-(prop-2-enoxymethylidene)piperidine
SMILESC=CCOC=C1CCCNC1
InChIInChI=1S/C9H15NO/c1-2-6-11-8-9-4-3-5-10-7-9/h2,8,10H,1,3-7H2
InChIKeyHIFZBXUNWWPDHL-UHFFFAOYSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enoxymethylidene)piperidine?
The IUPAC name of 3-(prop-2-enoxymethylidene)piperidine (CID 141256907) is 3-(prop-2-enoxymethylidene)piperidine.
What is the SMILES notation for 3-(prop-2-enoxymethylidene)piperidine?
The canonical SMILES for 3-(prop-2-enoxymethylidene)piperidine is C=CCOC=C1CCCNC1.
What is the InChIKey of 3-(prop-2-enoxymethylidene)piperidine?
The InChIKey is HIFZBXUNWWPDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-6-11-8-9-4-3-5-10-7-9/h2,8,10H,1,3-7H2.
What are the key properties of 3-(prop-2-enoxymethylidene)piperidine?
3-(prop-2-enoxymethylidene)piperidine has a molecular weight of 153.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enoxymethylidene)piperidine is sourced from PubChem (CID 141256907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).