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Home > Indoles and Oxindole > 39488-10-3
39488-10-3 | 2-[4-(piperidin-1-yl)but-2-yn-1-yl]-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione hydrochloride(1:1)
CAS No: 39488-10-3 Catalog No: AG007932 MDL No:
Product Description
Catalog Number:
AG007932
Chemical Name:
2-[4-(piperidin-1-yl)but-2-yn-1-yl]-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione hydrochloride(1:1)
CAS Number:
39488-10-3
Molecular Formula:
C18H23ClN2O2
Molecular Weight:
334.8404
IUPAC Name:
4-(4-piperidin-1-ylbut-2-ynyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hydrochloride
InChI:
InChI=1S/C18H22N2O2.ClH/c21-17-15-13-6-7-14(12-13)16(15)18(22)20(17)11-5-4-10-19-8-2-1-3-9-19;/h6-7,13-16H,1-3,8-12H2;1H
InChI Key:
RFSQNANKQXTFHG-UHFFFAOYSA-N
SMILES:
O=C1N(CC#CCN2CCCCC2)C(=O)C2C1C1C=CC2C1.Cl
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.145g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.844g/mol
Monoisotopic Mass:
334.145g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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