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30817-59-5 | Pyrrolidinium, 1-methyl-1-[4-(2-oxo-1-pyrrolidinyl)-2-butyn-1-yl]-, iodide (1:1)
CAS No: 30817-59-5 Catalog No: AG0031E0 MDL No:
Product Description
Catalog Number:
AG0031E0
Chemical Name:
Pyrrolidinium, 1-methyl-1-[4-(2-oxo-1-pyrrolidinyl)-2-butyn-1-yl]-, iodide (1:1)
CAS Number:
30817-59-5
Molecular Formula:
C13H21IN2O
Molecular Weight:
348.2231
IUPAC Name:
1-[4-(1-methylpyrrolidin-1-ium-1-yl)but-2-ynyl]pyrrolidin-2-one;iodide
InChI:
InChI=1S/C13H21N2O.HI/c1-15(11-4-5-12-15)10-3-2-8-14-9-6-7-13(14)16;/h4-12H2,1H3;1H/q+1;/p-1
InChI Key:
MYFDCXADFDTHQT-UHFFFAOYSA-M
SMILES:
O=C1CCCN1CC#CC[N+]1(C)CCCC1.[I-]
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.228g/mol
Monoisotopic Mass:
348.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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