4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine

C12H21NO — CID 70233571

IUPAC4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine
SMILESC=C(OC(C)(C)C)N1CC=C(C)CC1
InChIInChI=1S/C12H21NO/c1-10-6-8-13(9-7-10)11(2)14-12(3,4)5/h6H,2,7-9H2,1,3-5H3
InChIKeyBAICJXALORQXGZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.92
Rot. Bonds2

About 4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine

4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine (PubChem CID 70233571) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine
PubChem CID70233571
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine
SMILESC=C(OC(C)(C)C)N1CC=C(C)CC1
InChIInChI=1S/C12H21NO/c1-10-6-8-13(9-7-10)11(2)14-12(3,4)5/h6H,2,7-9H2,1,3-5H3
InChIKeyBAICJXALORQXGZ-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.92
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 4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine (CID 70233571) is 4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine is C=C(OC(C)(C)C)N1CC=C(C)CC1.
What is the InChIKey of 4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine?
The InChIKey is BAICJXALORQXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-6-8-13(9-7-10)11(2)14-12(3,4)5/h6H,2,7-9H2,1,3-5H3.
What are the key properties of 4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine?
4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine has a molecular weight of 195.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 70233571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).