2-methyl-3-propan-2-yloxy-1,2-dihydropyridine

C9H15NO — CID 173058164

IUPAC2-methyl-3-propan-2-yloxy-1,2-dihydropyridine
SMILESCC(C)OC1=CC=CNC1C
InChIInChI=1S/C9H15NO/c1-7(2)11-9-5-4-6-10-8(9)3/h4-8,10H,1-3H3
InChIKeyGBTGDOGDUPAIFS-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.80
Rot. Bonds2

About 2-methyl-3-propan-2-yloxy-1,2-dihydropyridine

2-methyl-3-propan-2-yloxy-1,2-dihydropyridine (PubChem CID 173058164) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yloxy-1,2-dihydropyridine.

Molecular Properties

Compound Name2-methyl-3-propan-2-yloxy-1,2-dihydropyridine
PubChem CID173058164
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-3-propan-2-yloxy-1,2-dihydropyridine
SMILESCC(C)OC1=CC=CNC1C
InChIInChI=1S/C9H15NO/c1-7(2)11-9-5-4-6-10-8(9)3/h4-8,10H,1-3H3
InChIKeyGBTGDOGDUPAIFS-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yloxy-1,2-dihydropyridine?
The IUPAC name of 2-methyl-3-propan-2-yloxy-1,2-dihydropyridine (CID 173058164) is 2-methyl-3-propan-2-yloxy-1,2-dihydropyridine.
What is the SMILES notation for 2-methyl-3-propan-2-yloxy-1,2-dihydropyridine?
The canonical SMILES for 2-methyl-3-propan-2-yloxy-1,2-dihydropyridine is CC(C)OC1=CC=CNC1C.
What is the InChIKey of 2-methyl-3-propan-2-yloxy-1,2-dihydropyridine?
The InChIKey is GBTGDOGDUPAIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)11-9-5-4-6-10-8(9)3/h4-8,10H,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yloxy-1,2-dihydropyridine?
2-methyl-3-propan-2-yloxy-1,2-dihydropyridine has a molecular weight of 153.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yloxy-1,2-dihydropyridine is sourced from PubChem (CID 173058164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).