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

C9H15NO — CID 142501621

IUPAC4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(C2COC2)CC1
InChIInChI=1S/C9H15NO/c1-8-2-4-10(5-3-8)9-6-11-7-9/h2,9H,3-7H2,1H3
InChIKeyXJNVHSKUKRMXNB-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.04
Rot. Bonds1

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

4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine (PubChem CID 142501621) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
PubChem CID142501621
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(C2COC2)CC1
InChIInChI=1S/C9H15NO/c1-8-2-4-10(5-3-8)9-6-11-7-9/h2,9H,3-7H2,1H3
InChIKeyXJNVHSKUKRMXNB-UHFFFAOYSA-N
XLogP1.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.04
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-(oxetan-3-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine (CID 142501621) is 4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine is CC1=CCN(C2COC2)CC1.
What is the InChIKey of 4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is XJNVHSKUKRMXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8-2-4-10(5-3-8)9-6-11-7-9/h2,9H,3-7H2,1H3.
What are the key properties of 4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine?
4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 153.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142501621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).