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

C8H13NO2 — CID 166174987

IUPACmethyl 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate
SMILESCOC(=O)C1(C)C=CCNC1
InChIInChI=1S/C8H13NO2/c1-8(7(10)11-2)4-3-5-9-6-8/h3-4,9H,5-6H2,1-2H3
InChIKeyLCGHWZVHTYACKX-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.33
Rot. Bonds1

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

methyl 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate (PubChem CID 166174987) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate
PubChem CID166174987
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate
SMILESCOC(=O)C1(C)C=CCNC1
InChIInChI=1S/C8H13NO2/c1-8(7(10)11-2)4-3-5-9-6-8/h3-4,9H,5-6H2,1-2H3
InChIKeyLCGHWZVHTYACKX-UHFFFAOYSA-N
XLogP0.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 1,2,3,6-tetrahydropyridine-3-carboxylate
CID 14288721
Methyl 1-methyl-1,2,3,6-tetrahydropyridine-3-carboxylate
CID 10888134
Ethyl 1,2,3,6-tetrahydropyridine-3-carboxylate hydrochloride
CID 138987722
Ethyl 1,2,3,6-tetrahydropyridine-3-carboxylate
CID 66973394
methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate
CID 171478933
Methyltetrahydronicotinsaure
CID 13032577
Methyl 3-(but-3-enylamino)propanoate
CID 64315815
Methyl 1,3-dimethyl-2,6-dihydropyridine-3-carboxylate
CID 86138917
methyl 1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylate
CID 91025890
Methyl 3-(1-cyclohexa-1,5-dien-1-ylprop-2-enylamino)propanoate
CID 156188434
Methyl 3-(1-cyclohexa-1,5-dien-1-ylethylamino)propanoate
CID 156188467
Tert-butyl 1,2,3,6-tetrahydropyridine-3-carboxylate
CID 165892133

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate (CID 166174987) is methyl 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate is COC(=O)C1(C)C=CCNC1.
What is the InChIKey of methyl 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate?
The InChIKey is LCGHWZVHTYACKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(7(10)11-2)4-3-5-9-6-8/h3-4,9H,5-6H2,1-2H3.
What are the key properties of methyl 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate?
methyl 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate is sourced from PubChem (CID 166174987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).