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88978-44-3 | 2H-Pyrrol-2-one, 3,4-diethyl-1,5-dihydro-5-(2-pyridinylmethylene)-
CAS No: 88978-44-3 Catalog No: AG0045KH MDL No:
Product Description
Catalog Number:
AG0045KH
Chemical Name:
2H-Pyrrol-2-one, 3,4-diethyl-1,5-dihydro-5-(2-pyridinylmethylene)-
CAS Number:
88978-44-3
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
IUPAC Name:
3,4-diethyl-5-(pyridin-2-ylmethylidene)pyrrol-2-one
InChI:
InChI=1S/C14H16N2O/c1-3-11-12(4-2)14(17)16-13(11)9-10-7-5-6-8-15-10/h5-9H,3-4H2,1-2H3,(H,16,17)
InChI Key:
NPIXOWNMNTUPBK-UHFFFAOYSA-N
SMILES:
CCC1=C(CC)C(=O)NC1=Cc1ccccn1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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