methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate

C8H13NO2 — CID 20975306

IUPACmethyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate
SMILESCOC(=O)C1CC=CN(C)C1
InChIInChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h3,5,7H,4,6H2,1-2H3
InChIKeyJYQWWGGJTICZIW-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.62
Rot. Bonds1

About methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate

methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate (PubChem CID 20975306) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate
PubChem CID20975306
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate
SMILESCOC(=O)C1CC=CN(C)C1
InChIInChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h3,5,7H,4,6H2,1-2H3
InChIKeyJYQWWGGJTICZIW-UHFFFAOYSA-N
XLogP0.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate?
The IUPAC name of methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate (CID 20975306) is methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate is COC(=O)C1CC=CN(C)C1.
What is the InChIKey of methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate?
The InChIKey is JYQWWGGJTICZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h3,5,7H,4,6H2,1-2H3.
What are the key properties of methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate?
methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate is sourced from PubChem (CID 20975306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).