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Home > Indoles and Oxindole > 85123-65-5
85123-65-5 | 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)-
CAS No: 85123-65-5 Catalog No: AG004O40 MDL No:
Product Description
Catalog Number:
AG004O40
Chemical Name:
3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)-
CAS Number:
85123-65-5
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
IUPAC Name:
5-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-1,3-dihydroindol-2-one
InChI:
InChI=1S/C13H11N3O2/c17-11-4-7-3-6(1-2-10(7)14-11)12-8-5-9(8)13(18)16-15-12/h1-3,8-9H,4-5H2,(H,14,17)(H,16,18)
InChI Key:
WKRDMGCTYHMISA-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1)ccc(c2)C1=NNC(=O)C2C1C2
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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