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

C8H13NO2 — CID 143881250

IUPACmethyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate
SMILESCOC(=O)C1CC=CCN1C
InChIInChI=1S/C8H13NO2/c1-9-6-4-3-5-7(9)8(10)11-2/h3-4,7H,5-6H2,1-2H3
InChIKeyPRMOUELIAGPZQS-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds1

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

methyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate (PubChem CID 143881250) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate
PubChem CID143881250
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate
SMILESCOC(=O)C1CC=CCN1C
InChIInChI=1S/C8H13NO2/c1-9-6-4-3-5-7(9)8(10)11-2/h3-4,7H,5-6H2,1-2H3
InChIKeyPRMOUELIAGPZQS-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate?
The IUPAC name of methyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate (CID 143881250) is methyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate?
The canonical SMILES for methyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate is COC(=O)C1CC=CCN1C.
What is the InChIKey of methyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate?
The InChIKey is PRMOUELIAGPZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-6-4-3-5-7(9)8(10)11-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate?
methyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate is sourced from PubChem (CID 143881250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).