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Home > Indoles and Oxindole > 135414-78-7
135414-78-7 | 2-(2-Piperazin-1-ylethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione
CAS No: 135414-78-7 Catalog No: AG00JGT3 MDL No:MFCD03765176
Product Description
Catalog Number:
AG00JGT3
Chemical Name:
2-(2-Piperazin-1-ylethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione
CAS Number:
135414-78-7
Molecular Formula:
C15H21N3O2
Molecular Weight:
275.3461
MDL Number:
MFCD03765176
IUPAC Name:
4-(2-piperazin-1-ylethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI:
InChI=1S/C15H21N3O2/c19-14-12-10-1-2-11(9-10)13(12)15(20)18(14)8-7-17-5-3-16-4-6-17/h1-2,10-13,16H,3-9H2
InChI Key:
KDARPBVDZSKVMZ-UHFFFAOYSA-N
SMILES:
O=C1C2C3C=CC(C2C(=O)N1CCN1CCNCC1)C3
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.352g/mol
Monoisotopic Mass:
275.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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