methyl 2-methyl-2,3-dihydropyridine-4-carboxylate

C8H11NO2 — CID 134242734

IUPACmethyl 2-methyl-2,3-dihydropyridine-4-carboxylate
SMILESCOC(=O)C1=CC=NC(C)C1
InChIInChI=1S/C8H11NO2/c1-6-5-7(3-4-9-6)8(10)11-2/h3-4,6H,5H2,1-2H3
InChIKeyIXRFLAYSQUBAKB-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.95
Rot. Bonds1

About methyl 2-methyl-2,3-dihydropyridine-4-carboxylate

methyl 2-methyl-2,3-dihydropyridine-4-carboxylate (PubChem CID 134242734) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl 2-methyl-2,3-dihydropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-2,3-dihydropyridine-4-carboxylate
PubChem CID134242734
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl 2-methyl-2,3-dihydropyridine-4-carboxylate
SMILESCOC(=O)C1=CC=NC(C)C1
InChIInChI=1S/C8H11NO2/c1-6-5-7(3-4-9-6)8(10)11-2/h3-4,6H,5H2,1-2H3
InChIKeyIXRFLAYSQUBAKB-UHFFFAOYSA-N
XLogP0.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 6-methyl-2,3-dihydropyridine-4-carboxylate
CID 59918596
2-Ethyl-2-methyl-isonicotinic acid ethyl ester
CID 66933802
Methyl 2-methyl-2,3-dihydropyridine-5-carboxylate
CID 68203851
tert-butyl 2-methyl-3-oxo-2H-pyridine-4-carboxylate
CID 69381123
2-Methyl-2,3-dihydropyridine-4-carboxylic acid
CID 118281598
Methyl 5-iodo-2-methyl-2,3-dihydropyridine-4-carboxylate
CID 118969885
Methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate
CID 129046104
Methyl 2,3-dihydropyridine-4-carboxylate
CID 148624416
Methyl 2-ethyl-2,3-dihydropyridine-4-carboxylate
CID 163878490
Methyl 7-azabicyclo[4.1.0]hepta-1(7),2,4-triene-2-carboxylate
CID 102487256
methyl (2R)-2-ethyl-2H-pyrrole-3-carboxylate
CID 129539618
methyl (2S)-2-ethyl-2H-pyrrole-3-carboxylate
CID 129539619

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2,3-dihydropyridine-4-carboxylate?
The IUPAC name of methyl 2-methyl-2,3-dihydropyridine-4-carboxylate (CID 134242734) is methyl 2-methyl-2,3-dihydropyridine-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-2,3-dihydropyridine-4-carboxylate?
The canonical SMILES for methyl 2-methyl-2,3-dihydropyridine-4-carboxylate is COC(=O)C1=CC=NC(C)C1.
What is the InChIKey of methyl 2-methyl-2,3-dihydropyridine-4-carboxylate?
The InChIKey is IXRFLAYSQUBAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-5-7(3-4-9-6)8(10)11-2/h3-4,6H,5H2,1-2H3.
What are the key properties of methyl 2-methyl-2,3-dihydropyridine-4-carboxylate?
methyl 2-methyl-2,3-dihydropyridine-4-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2,3-dihydropyridine-4-carboxylate is sourced from PubChem (CID 134242734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).