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

C11H19NO2 — CID 114404588

IUPAC4-(oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COCC2CCOC2)CCNC1
InChIInChI=1S/C11H19NO2/c1-4-12-5-2-10(1)7-14-9-11-3-6-13-8-11/h1,11-12H,2-9H2
InChIKeyRLISLHZHFSKWNL-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.96
Rot. Bonds4

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

4-(oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 114404588) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID114404588
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COCC2CCOC2)CCNC1
InChIInChI=1S/C11H19NO2/c1-4-12-5-2-10(1)7-14-9-11-3-6-13-8-11/h1,11-12H,2-9H2
InChIKeyRLISLHZHFSKWNL-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine (CID 114404588) is 4-(oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine is C1=C(COCC2CCOC2)CCNC1.
What is the InChIKey of 4-(oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is RLISLHZHFSKWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-12-5-2-10(1)7-14-9-11-3-6-13-8-11/h1,11-12H,2-9H2.
What are the key properties of 4-(oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
4-(oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 197.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).