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

C8H13NO3 — CID 11298210

IUPACmethyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CCC=CC1OC
InChIInChI=1S/C8H13NO3/c1-11-7-5-3-4-6-9(7)8(10)12-2/h3,5,7H,4,6H2,1-2H3
InChIKeyGUJONRXISVYHIG-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.99
Rot. Bonds1

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

methyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 11298210) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID11298210
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CCC=CC1OC
InChIInChI=1S/C8H13NO3/c1-11-7-5-3-4-6-9(7)8(10)12-2/h3,5,7H,4,6H2,1-2H3
InChIKeyGUJONRXISVYHIG-UHFFFAOYSA-N
XLogP0.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.99
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 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate (CID 11298210) is methyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1CCC=CC1OC.
What is the InChIKey of methyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is GUJONRXISVYHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-11-7-5-3-4-6-9(7)8(10)12-2/h3,5,7H,4,6H2,1-2H3.
What are the key properties of methyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 11298210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).