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Home > Indoles and Oxindole > 330965-18-9
330965-18-9 | 1-(2-methyl-1H-indol-3-yl)-2-(piperidin-1-yl)ethane-1,2-dione
CAS No: 330965-18-9 Catalog No: AG00IPOF MDL No:MFCD00654545
Product Description
Catalog Number:
AG00IPOF
Chemical Name:
1-(2-methyl-1H-indol-3-yl)-2-(piperidin-1-yl)ethane-1,2-dione
CAS Number:
330965-18-9
Molecular Formula:
C16H18N2O2
Molecular Weight:
270.3263
MDL Number:
MFCD00654545
IUPAC Name:
1-(2-methyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
InChI:
InChI=1S/C16H18N2O2/c1-11-14(12-7-3-4-8-13(12)17-11)15(19)16(20)18-9-5-2-6-10-18/h3-4,7-8,17H,2,5-6,9-10H2,1H3
InChI Key:
JUXOPKDNBHNOEE-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1c(C)[nH]c2c1cccc2)N1CCCCC1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.332g/mol
Monoisotopic Mass:
270.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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