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(3aRS,6aSR)-1-Methyl-3-(5-trimethylsilanylethynyl-pyridin-2-yl)-hexahydro-cyclopenta-imidazol-2-one

HCID 67436711
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1C(=O)N(c2ccc(C#C[Si](C)(C)C)cn2)C2CCCC21
InChIKey
XFNRBUXEONANMX-UHFFFAOYSA-N
Molecular formula
C17H23N3OSi
Average molar mass
313.5 g/mol
Monoisotopic mass
313.1610389

Names & identifiers

Preferred name
(3aRS,6aSR)-1-Methyl-3-(5-trimethylsilanylethynyl-pyridin-2-yl)-hexahydro-cyclopenta-imidazol-2-one
IUPAC
1-methyl-3-[5-(2-trimethylsilylethynyl)-2-pyridinyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one

Names & synonyms

SCHEMBL2518560XFNRBUXEONANMX-UHFFFAOYSA-N(3aRS,6aSR)-1-Methyl-3-(5-trimethylsilanylethynyl-pyridin-2-yl)-hexahydro-cyclopenta-imidazol-2-one

Database identifiers

PubChem CID
67436711

Properties

Computed structural properties

Topological polar surface area
36.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
22
Formal charge
0
Complexity
515

Related reactions

10 records
New reaction record
HRID 629229 reaction equation
HRID 629229As productuspto-grants-2016_04
HRID 629230 reaction equation
HRID 629230As reactantuspto-grants-2016_04
HRID 1560351 reaction equation
HRID 1560351As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1894240 reaction equation
HRID 1894240As productuspto-grants-2013_08
HRID 1894241 reaction equation
HRID 1894241As reactantuspto-grants-2013_08
HRID 1917555 reaction equation
HRID 1917555As productuspto-grants-2013_12
HRID 1917556 reaction equation
HRID 1917556As reactantuspto-grants-2013_12
HRID 1966584 reaction equation
HRID 1966584As productuspto-grants-2013_04
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Compound notes

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