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Methyl 1-cyclopentyl-6-oxo-5-(pyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxylate

HCID 66845136
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cc(N2CCCC2)c(=O)n(C2CCCC2)c1
InChIKey
MRMZORLNGMADHZ-UHFFFAOYSA-N
Molecular formula
C16H22N2O3
Average molar mass
290.36 g/mol

Names & identifiers

Preferred name
Methyl 1-cyclopentyl-6-oxo-5-(pyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxylate
IUPAC
methyl 1-cyclopentyl-6-oxo-5-pyrrolidin-1-ylpyridine-3-carboxylate

Names & synonyms

SCHEMBL925284MRMZORLNGMADHZ-UHFFFAOYSA-NMethyl 1-cyclopentyl-6-oxo-5-(pyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxylate

Database identifiers

PubChem CID
66845136

Properties

Computed structural properties

XLogP
2
Topological polar surface area
49.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
498

Related reactions

3 records
New reaction record
HRID 253094 reaction equation
HRID 253094As productuspto-grants-2011_01
HRID 1696277 reaction equation
HRID 1696277As productuspto-grants-2012_04
HRID 2310515 reaction equation
HRID 2310515As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes