6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine

C13H21NO — CID 166963522

IUPAC6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine
SMILESC=C1CC=C(C)N(C(=C)OC(C)(C)C)C1
InChIInChI=1S/C13H21NO/c1-10-7-8-11(2)14(9-10)12(3)15-13(4,5)6/h8H,1,3,7,9H2,2,4-6H3
InChIKeyCHTGATMDVIZPJT-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.44
Rot. Bonds2

About 6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine

6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine (PubChem CID 166963522) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine.

Molecular Properties

Compound Name6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine
PubChem CID166963522
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine
SMILESC=C1CC=C(C)N(C(=C)OC(C)(C)C)C1
InChIInChI=1S/C13H21NO/c1-10-7-8-11(2)14(9-10)12(3)15-13(4,5)6/h8H,1,3,7,9H2,2,4-6H3
InChIKeyCHTGATMDVIZPJT-UHFFFAOYSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine?
The IUPAC name of 6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine (CID 166963522) is 6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine.
What is the SMILES notation for 6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine?
The canonical SMILES for 6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine is C=C1CC=C(C)N(C(=C)OC(C)(C)C)C1.
What is the InChIKey of 6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine?
The InChIKey is CHTGATMDVIZPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-7-8-11(2)14(9-10)12(3)15-13(4,5)6/h8H,1,3,7,9H2,2,4-6H3.
What are the key properties of 6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine?
6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine has a molecular weight of 207.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine is sourced from PubChem (CID 166963522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).