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Home > Indoles and Oxindole > 23772-61-4
23772-61-4 | (3Z)-3-(phenylmethylidene)-2,3-dihydro-1H-indol-2-one
CAS No: 23772-61-4 Catalog No: AG00JWGL MDL No:
Product Description
Catalog Number:
AG00JWGL
Chemical Name:
(3Z)-3-(phenylmethylidene)-2,3-dihydro-1H-indol-2-one
CAS Number:
23772-61-4
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
IUPAC Name:
(3Z)-3-benzylidene-1H-indol-2-one
InChI:
InChI=1S/C15H11NO/c17-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)16-15/h1-10H,(H,16,17)/b13-10-
InChI Key:
SXJAAQOVTDUZPS-RAXLEYEMSA-N
SMILES:
O=C1Nc2c(/C/1=C/c1ccccc1)cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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