tert-butyl 4-(1H-imidazol-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate

HCID 69053296

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)OC(=O)N1CC=C(c2ncc[nH]2)CC1
InChIKey: VXESIQITZBRNNA-UHFFFAOYSA-N
Molecular formula: C13H19N3O2
Average molar mass: 249.31 g/mol

Names & identifiers

Preferred name: tert-butyl 4-(1H-imidazol-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate
IUPAC: tert-butyl 4-(1H-imidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

Names & synonyms

SCHEMBL4462806VXESIQITZBRNNA-UHFFFAOYSA-NDB-110482tert-butyl 4-(1H-imidazol-2-yl)-3,6-dihydropyridine-1(2H)-carboxylatetert-butyl 4-(1H-imidazol-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate158654-94-5

Database identifiers

PubChem CID: 69053296

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 347

Related reactions

6 records

New reaction record

HRID 110489As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1051585As productuspto-grants-2016_07

HRID 1051586As reactantuspto-grants-2016_07

HRID 1725768As productuspto-grants-2009_02

HRID 1725769As reactantuspto-grants-2009_02

HRID 2316207As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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