Oxotremorine 1

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Basic information

CAS: 3854-05-5
Standard SMILES: CC(=O)N(C)CC#CCN1CCCC1
InChIKey: HWYHDWGGACRVEH-UHFFFAOYSA-N
Molecular formula: C11H18N2O
Average molar mass: 194.27 g/mol
Monoisotopic mass: 194.1419132

Names & identifiers

Preferred name: Oxotremorine 1
IUPAC: N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide

Names & synonyms

Oxotremorine 1Oxo 13854-05-5ACETAMIDE, N-METHYL-N-(4-(1-PYRROLIDINYL)-2-BUTYNYL)-BRN 4247641N-Methyl-N-(4-pyrrolidin-1'-ylbut-2-ynyl)acetamideDTXSID90191870Acetamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-RefChem:367493DTXCID30114361CHEMBL11081UH 5

Show more names

SCHEMBL11726909N-methyl-N-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]acetamideBDBM50009300N-methyl-N-(4-pyrrolidino-2-butynyl)acetamideN-(4-pyrrolidino-2-butynyl) -N-methylacetamideN-Methyl-N-(4-pyrrolidin-1-yl-but-2-ynyl)-acetamideN-Methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]acetamide #UH5;N-Methyl-N-(4-pyrrolidin-1-yl-but-2-ynyl)-acetamide

Database identifiers

CAS: 3854-05-5
PubChem CID: 19716
DTXSID: DTXSID90191870
ChEMBL: CHEMBL11081
Nikkaji: J273.504K

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 255

Related reactions

2 records

New reaction record

HRID 196233As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 462077As productuspto-grants-1977_12

Compound notes

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