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Home > Pyridines > 144446-32-2
144446-32-2 | 2-Pyrrolidinone, 5-[6-(3-butenyl)-3-pyridinyl]-1-methyl-, (S)- (9CI)
CAS No: 144446-32-2 Catalog No: AG001JJZ MDL No:
Product Description
Catalog Number:
AG001JJZ
Chemical Name:
2-Pyrrolidinone, 5-[6-(3-butenyl)-3-pyridinyl]-1-methyl-, (S)- (9CI)
CAS Number:
144446-32-2
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
5-(6-but-3-enylpyridin-3-yl)-1-methylpyrrolidin-2-one
InChI:
InChI=1S/C14H18N2O/c1-3-4-5-12-7-6-11(10-15-12)13-8-9-14(17)16(13)2/h3,6-7,10,13H,1,4-5,8-9H2,2H3
InChI Key:
GKCMYDCHEVPLAG-UHFFFAOYSA-N
SMILES:
C=CCCc1ccc(cn1)[C@@H]1CCC(=O)N1C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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