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Home > Indoles and Oxindole > 79016-59-4
79016-59-4 | 1,2,3,4-Tetrahydropyrazino[2,1-A]Isoindol-6(10Bh)-One
CAS No: 79016-59-4 Catalog No: AG00ICZK MDL No:MFCD12198737
Product Description
Catalog Number:
AG00ICZK
Chemical Name:
1,2,3,4-Tetrahydropyrazino[2,1-A]Isoindol-6(10Bh)-One
CAS Number:
79016-59-4
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD12198737
IUPAC Name:
2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
InChI:
InChI=1S/C11H12N2O/c14-11-9-4-2-1-3-8(9)10-7-12-5-6-13(10)11/h1-4,10,12H,5-7H2
InChI Key:
MHUTWQRLKOUUFX-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C2N1CCNC2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Discovery of (R)-9-ethyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino[2,1-a]isoindol- 6(2H)-one, a selective, orally active agonist of the 5-HT(2C) receptor. | Journal of medicinal chemistry 20070322 |
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