4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine

C11H19NO — CID 131089100

IUPAC4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(C2CCOCC2)CC1
InChIInChI=1S/C11H19NO/c1-10-2-6-12(7-3-10)11-4-8-13-9-5-11/h2,11H,3-9H2,1H3
InChIKeyTYQAITQORXBBMM-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.82
Rot. Bonds1

About 4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine

4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine (PubChem CID 131089100) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine
PubChem CID131089100
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(C2CCOCC2)CC1
InChIInChI=1S/C11H19NO/c1-10-2-6-12(7-3-10)11-4-8-13-9-5-11/h2,11H,3-9H2,1H3
InChIKeyTYQAITQORXBBMM-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 4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine (CID 131089100) is 4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine is CC1=CCN(C2CCOCC2)CC1.
What is the InChIKey of 4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is TYQAITQORXBBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10-2-6-12(7-3-10)11-4-8-13-9-5-11/h2,11H,3-9H2,1H3.
What are the key properties of 4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine?
4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine 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 4-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131089100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).