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477886-41-2 | (3Z)-3-[(3-methylphenyl)imino]-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one
CAS No: 477886-41-2 Catalog No: AG00IOBD MDL No:MFCD02083092
Product Description
Catalog Number:
AG00IOBD
Chemical Name:
(3Z)-3-[(3-methylphenyl)imino]-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one
CAS Number:
477886-41-2
Molecular Formula:
C18H14N2O
Molecular Weight:
274.3166
MDL Number:
MFCD02083092
IUPAC Name:
3-(3-methylphenyl)imino-1-prop-2-ynylindol-2-one
InChI:
InChI=1S/C18H14N2O/c1-3-11-20-16-10-5-4-9-15(16)17(18(20)21)19-14-8-6-7-13(2)12-14/h1,4-10,12H,11H2,2H3
InChI Key:
UUCHRQDUURPGRU-UHFFFAOYSA-N
SMILES:
C#CCN1c2ccccc2/C(=N/c2cccc(c2)C)/C1=O
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.323g/mol
Monoisotopic Mass:
274.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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