1,3-Indandione, 2-methyl-2-(4-morpholino-2-butynyl)-, hydrochloride

HCID 210987

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 22019-35-8
Standard SMILES: CC1(CC#CCN2CCOCC2)C(=O)c2ccccc2C1=O.Cl
InChIKey: WSZZDXWSHRHTCD-UHFFFAOYSA-N
Molecular formula: C18H20ClNO3
Average molar mass: 333.8 g/mol
Monoisotopic mass: 333.1131712

Names & identifiers

Preferred name: 1,3-Indandione, 2-methyl-2-(4-morpholino-2-butynyl)-, hydrochloride
IUPAC: 2-methyl-2-(4-morpholin-4-ylbut-2-ynyl)indene-1,3-dione;hydrochloride

Names & synonyms

22019-35-81,3-Indandione, 2-methyl-2-(4-morpholino-2-butynyl)-, hydrochlorideDTXSID701764832-Methyl-2-(delta-morpholinobutynyl)indan-1,3-dione hydrochlorideRefChem:219330DTXCID00989742-Methyl-2-[4-(morpholin-4-yl)but-2-yn-1-yl]-1H-indene-1,3(2H)-dione--hydrogen chloride (1/1)

Database identifiers

CAS: 22019-35-8
PubChem CID: 210987
DTXSID: DTXSID70176483

Properties

Computed structural properties

Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 497

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…