methyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate

C9H15NO2 — CID 14288736

IUPACmethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CCC(C)N(C)C1
InChIInChI=1S/C9H15NO2/c1-7-4-5-8(6-10(7)2)9(11)12-3/h5,7H,4,6H2,1-3H3
InChIKeyOMFQALCJDYAWAG-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds1

About methyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 14288736) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID14288736
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CCC(C)N(C)C1
InChIInChI=1S/C9H15NO2/c1-7-4-5-8(6-10(7)2)9(11)12-3/h5,7H,4,6H2,1-3H3
InChIKeyOMFQALCJDYAWAG-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 14288736) is methyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=CCC(C)N(C)C1.
What is the InChIKey of methyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is OMFQALCJDYAWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-4-5-8(6-10(7)2)9(11)12-3/h5,7H,4,6H2,1-3H3.
What are the key properties of methyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 14288736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).