4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine

C11H19NO2 — CID 114404470

IUPAC4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COCC2CCCO2)CCNC1
InChIInChI=1S/C11H19NO2/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h3,11-12H,1-2,4-9H2
InChIKeyIULLULMCNWMBMX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.10
Rot. Bonds4

About 4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine

4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 114404470) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID114404470
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COCC2CCCO2)CCNC1
InChIInChI=1S/C11H19NO2/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h3,11-12H,1-2,4-9H2
InChIKeyIULLULMCNWMBMX-UHFFFAOYSA-N
XLogP1.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(oxolan-2-ylmethylidene)piperidine
CID 79880294
(2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine
CID 82836809
(2Z)-N-ethyl-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82838509
4-(Pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 102982177
4-(1-Ethoxypropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 103488712
4-(Cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404453
4-(2-Methoxyethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404463
4-(2-Ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404464
4-(2-Propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404468
4-(Oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404469
4-(2-Butoxyethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404534
4-(Oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404584

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine (CID 114404470) is 4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine is C1=C(COCC2CCCO2)CCNC1.
What is the InChIKey of 4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is IULLULMCNWMBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h3,11-12H,1-2,4-9H2.
What are the key properties of 4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 197.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).