3-[2-(oxolan-2-yl)ethylidene]piperidine

C11H19NO — CID 79879668

IUPAC3-[2-(oxolan-2-yl)ethylidene]piperidine
SMILESC(CC1CCCO1)=C1CCCNC1
InChIInChI=1S/C11H19NO/c1-3-10(9-12-7-1)5-6-11-4-2-8-13-11/h5,11-12H,1-4,6-9H2
InChIKeyMHCJAWFJAYRMBJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds2

About 3-[2-(oxolan-2-yl)ethylidene]piperidine

3-[2-(oxolan-2-yl)ethylidene]piperidine (PubChem CID 79879668) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[2-(oxolan-2-yl)ethylidene]piperidine.

Molecular Properties

Compound Name3-[2-(oxolan-2-yl)ethylidene]piperidine
PubChem CID79879668
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-[2-(oxolan-2-yl)ethylidene]piperidine
SMILESC(CC1CCCO1)=C1CCCNC1
InChIInChI=1S/C11H19NO/c1-3-10(9-12-7-1)5-6-11-4-2-8-13-11/h5,11-12H,1-4,6-9H2
InChIKeyMHCJAWFJAYRMBJ-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
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-[2-(oxolan-2-yl)ethylidene]piperidine?
The IUPAC name of 3-[2-(oxolan-2-yl)ethylidene]piperidine (CID 79879668) is 3-[2-(oxolan-2-yl)ethylidene]piperidine.
What is the SMILES notation for 3-[2-(oxolan-2-yl)ethylidene]piperidine?
The canonical SMILES for 3-[2-(oxolan-2-yl)ethylidene]piperidine is C(CC1CCCO1)=C1CCCNC1.
What is the InChIKey of 3-[2-(oxolan-2-yl)ethylidene]piperidine?
The InChIKey is MHCJAWFJAYRMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-10(9-12-7-1)5-6-11-4-2-8-13-11/h5,11-12H,1-4,6-9H2.
What are the key properties of 3-[2-(oxolan-2-yl)ethylidene]piperidine?
3-[2-(oxolan-2-yl)ethylidene]piperidine has a molecular weight of 181.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-2-yl)ethylidene]piperidine is sourced from PubChem (CID 79879668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).