methyl 4-methyl-3,4-dihydropyridine-6-carboxylate

C8H11NO2 — CID 123591920

IUPACmethyl 4-methyl-3,4-dihydropyridine-6-carboxylate
SMILESCOC(=O)C1=CC(C)CC=N1
InChIInChI=1S/C8H11NO2/c1-6-3-4-9-7(5-6)8(10)11-2/h4-6H,3H2,1-2H3
InChIKeyQFEDVCJNYIWTKX-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.15
Rot. Bonds1

About methyl 4-methyl-3,4-dihydropyridine-6-carboxylate

methyl 4-methyl-3,4-dihydropyridine-6-carboxylate (PubChem CID 123591920) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl 4-methyl-3,4-dihydropyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3,4-dihydropyridine-6-carboxylate
PubChem CID123591920
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl 4-methyl-3,4-dihydropyridine-6-carboxylate
SMILESCOC(=O)C1=CC(C)CC=N1
InChIInChI=1S/C8H11NO2/c1-6-3-4-9-7(5-6)8(10)11-2/h4-6H,3H2,1-2H3
InChIKeyQFEDVCJNYIWTKX-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3,4-dihydropyridine-6-carboxylate?
The IUPAC name of methyl 4-methyl-3,4-dihydropyridine-6-carboxylate (CID 123591920) is methyl 4-methyl-3,4-dihydropyridine-6-carboxylate.
What is the SMILES notation for methyl 4-methyl-3,4-dihydropyridine-6-carboxylate?
The canonical SMILES for methyl 4-methyl-3,4-dihydropyridine-6-carboxylate is COC(=O)C1=CC(C)CC=N1.
What is the InChIKey of methyl 4-methyl-3,4-dihydropyridine-6-carboxylate?
The InChIKey is QFEDVCJNYIWTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-3-4-9-7(5-6)8(10)11-2/h4-6H,3H2,1-2H3.
What are the key properties of methyl 4-methyl-3,4-dihydropyridine-6-carboxylate?
methyl 4-methyl-3,4-dihydropyridine-6-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3,4-dihydropyridine-6-carboxylate is sourced from PubChem (CID 123591920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).