2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine

C12H17NO2 — CID 138538310

IUPAC2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine
SMILESCOC1(c2cc(C(C)C)ccn2)COC1
InChIInChI=1S/C12H17NO2/c1-9(2)10-4-5-13-11(6-10)12(14-3)7-15-8-12/h4-6,9H,7-8H2,1-3H3
InChIKeyVEFOVZNDDKDRGV-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.08
Rot. Bonds3

About 2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine

2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine (PubChem CID 138538310) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine
PubChem CID138538310
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine
SMILESCOC1(c2cc(C(C)C)ccn2)COC1
InChIInChI=1S/C12H17NO2/c1-9(2)10-4-5-13-11(6-10)12(14-3)7-15-8-12/h4-6,9H,7-8H2,1-3H3
InChIKeyVEFOVZNDDKDRGV-UHFFFAOYSA-N
XLogP2.08
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine?
The IUPAC name of 2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine (CID 138538310) is 2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine?
The canonical SMILES for 2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine is COC1(c2cc(C(C)C)ccn2)COC1.
What is the InChIKey of 2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine?
The InChIKey is VEFOVZNDDKDRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)10-4-5-13-11(6-10)12(14-3)7-15-8-12/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine?
2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine has a molecular weight of 207.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyoxetan-3-yl)-4-propan-2-ylpyridine is sourced from PubChem (CID 138538310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).