2,6-dimethyl-4-prop-2-enoxypyridine

C10H13NO — CID 119093148

IUPAC2,6-dimethyl-4-prop-2-enoxypyridine
SMILESC=CCOc1cc(C)nc(C)c1
InChIInChI=1S/C10H13NO/c1-4-5-12-10-6-8(2)11-9(3)7-10/h4,6-7H,1,5H2,2-3H3
InChIKeyZSYMLHRTNWYTHA-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.26
Rot. Bonds3

About 2,6-dimethyl-4-prop-2-enoxypyridine

2,6-dimethyl-4-prop-2-enoxypyridine (PubChem CID 119093148) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,6-dimethyl-4-prop-2-enoxypyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-prop-2-enoxypyridine
PubChem CID119093148
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2,6-dimethyl-4-prop-2-enoxypyridine
SMILESC=CCOc1cc(C)nc(C)c1
InChIInChI=1S/C10H13NO/c1-4-5-12-10-6-8(2)11-9(3)7-10/h4,6-7H,1,5H2,2-3H3
InChIKeyZSYMLHRTNWYTHA-UHFFFAOYSA-N
XLogP2.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.26
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 2,6-dimethyl-4-prop-2-enoxypyridine?
The IUPAC name of 2,6-dimethyl-4-prop-2-enoxypyridine (CID 119093148) is 2,6-dimethyl-4-prop-2-enoxypyridine.
What is the SMILES notation for 2,6-dimethyl-4-prop-2-enoxypyridine?
The canonical SMILES for 2,6-dimethyl-4-prop-2-enoxypyridine is C=CCOc1cc(C)nc(C)c1.
What is the InChIKey of 2,6-dimethyl-4-prop-2-enoxypyridine?
The InChIKey is ZSYMLHRTNWYTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-5-12-10-6-8(2)11-9(3)7-10/h4,6-7H,1,5H2,2-3H3.
What are the key properties of 2,6-dimethyl-4-prop-2-enoxypyridine?
2,6-dimethyl-4-prop-2-enoxypyridine has a molecular weight of 163.22 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-prop-2-enoxypyridine is sourced from PubChem (CID 119093148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).