3-methylidene-1-(2-methyloxolan-3-yl)piperidine

C11H19NO — CID 130666291

IUPAC3-methylidene-1-(2-methyloxolan-3-yl)piperidine
SMILESC=C1CCCN(C2CCOC2C)C1
InChIInChI=1S/C11H19NO/c1-9-4-3-6-12(8-9)11-5-7-13-10(11)2/h10-11H,1,3-8H2,2H3
InChIKeyKJIPFIYQEIBEEV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.82
Rot. Bonds1

About 3-methylidene-1-(2-methyloxolan-3-yl)piperidine

3-methylidene-1-(2-methyloxolan-3-yl)piperidine (PubChem CID 130666291) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methylidene-1-(2-methyloxolan-3-yl)piperidine.

Molecular Properties

Compound Name3-methylidene-1-(2-methyloxolan-3-yl)piperidine
PubChem CID130666291
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-methylidene-1-(2-methyloxolan-3-yl)piperidine
SMILESC=C1CCCN(C2CCOC2C)C1
InChIInChI=1S/C11H19NO/c1-9-4-3-6-12(8-9)11-5-7-13-10(11)2/h10-11H,1,3-8H2,2H3
InChIKeyKJIPFIYQEIBEEV-UHFFFAOYSA-N
XLogP1.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(2-methyloxolan-3-yl)piperidine?
The IUPAC name of 3-methylidene-1-(2-methyloxolan-3-yl)piperidine (CID 130666291) is 3-methylidene-1-(2-methyloxolan-3-yl)piperidine.
What is the SMILES notation for 3-methylidene-1-(2-methyloxolan-3-yl)piperidine?
The canonical SMILES for 3-methylidene-1-(2-methyloxolan-3-yl)piperidine is C=C1CCCN(C2CCOC2C)C1.
What is the InChIKey of 3-methylidene-1-(2-methyloxolan-3-yl)piperidine?
The InChIKey is KJIPFIYQEIBEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-4-3-6-12(8-9)11-5-7-13-10(11)2/h10-11H,1,3-8H2,2H3.
What are the key properties of 3-methylidene-1-(2-methyloxolan-3-yl)piperidine?
3-methylidene-1-(2-methyloxolan-3-yl)piperidine has a molecular weight of 181.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(2-methyloxolan-3-yl)piperidine is sourced from PubChem (CID 130666291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).