methyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate

C15H23NO3 — CID 170077276

IUPACmethyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate
SMILESCCCCC1CC=C(C(=O)OC)C(C(=O)C(C)C)=N1
InChIInChI=1S/C15H23NO3/c1-5-6-7-11-8-9-12(15(18)19-4)13(16-11)14(17)10(2)3/h9-11H,5-8H2,1-4H3
InChIKeyLYCAIXLBQNCZOC-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.71
Rot. Bonds6

About methyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate

methyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate (PubChem CID 170077276) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate
PubChem CID170077276
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate
SMILESCCCCC1CC=C(C(=O)OC)C(C(=O)C(C)C)=N1
InChIInChI=1S/C15H23NO3/c1-5-6-7-11-8-9-12(15(18)19-4)13(16-11)14(17)10(2)3/h9-11H,5-8H2,1-4H3
InChIKeyLYCAIXLBQNCZOC-UHFFFAOYSA-N
XLogP2.71
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate?
The IUPAC name of methyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate (CID 170077276) is methyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate.
What is the SMILES notation for methyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate?
The canonical SMILES for methyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate is CCCCC1CC=C(C(=O)OC)C(C(=O)C(C)C)=N1.
What is the InChIKey of methyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate?
The InChIKey is LYCAIXLBQNCZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-6-7-11-8-9-12(15(18)19-4)13(16-11)14(17)10(2)3/h9-11H,5-8H2,1-4H3.
What are the key properties of methyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate?
methyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butyl-6-(2-methylpropanoyl)-2,3-dihydropyridine-5-carboxylate is sourced from PubChem (CID 170077276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).