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306736-85-6 | 2-(phenylmethylidene)-2H,3H,5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-3-one
CAS No: 306736-85-6 Catalog No: AG01BHGL MDL No:MFCD03459729
Product Description
Catalog Number:
AG01BHGL
Chemical Name:
2-(phenylmethylidene)-2H,3H,5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-3-one
CAS Number:
306736-85-6
Molecular Formula:
C15H16N2O
Molecular Weight:
240.3003
MDL Number:
MFCD03459729
IUPAC Name:
2-benzylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
InChI:
InChI=1S/C15H16N2O/c18-15-13(11-12-7-3-1-4-8-12)16-14-9-5-2-6-10-17(14)15/h1,3-4,7-8,11H,2,5-6,9-10H2
InChI Key:
WCOFYCYVMITNMB-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2ccccc2)N=C2N1CCCCC2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.306g/mol
Monoisotopic Mass:
240.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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