3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine

C10H15NO — CID 121480648

IUPAC3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine
SMILESCC1C=CC(C2(C)COC2)=NC1
InChIInChI=1S/C10H15NO/c1-8-3-4-9(11-5-8)10(2)6-12-7-10/h3-4,8H,5-7H2,1-2H3
InChIKeyNKRBERHVHZGTOC-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.67
Rot. Bonds1

About 3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine

3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine (PubChem CID 121480648) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine
PubChem CID121480648
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine
SMILESCC1C=CC(C2(C)COC2)=NC1
InChIInChI=1S/C10H15NO/c1-8-3-4-9(11-5-8)10(2)6-12-7-10/h3-4,8H,5-7H2,1-2H3
InChIKeyNKRBERHVHZGTOC-UHFFFAOYSA-N
XLogP1.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine?
The IUPAC name of 3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine (CID 121480648) is 3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine.
What is the SMILES notation for 3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine?
The canonical SMILES for 3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine is CC1C=CC(C2(C)COC2)=NC1.
What is the InChIKey of 3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine?
The InChIKey is NKRBERHVHZGTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-3-4-9(11-5-8)10(2)6-12-7-10/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine?
3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine has a molecular weight of 165.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydropyridine is sourced from PubChem (CID 121480648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).