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Home > Indoles and Oxindole > 828911-75-7
828911-75-7 | 1H-Indole-2,3-dione, 4,7-dimethyl-5-[2-(1-pyrrolidinyl)ethyl]-
CAS No: 828911-75-7 Catalog No: AG00559K MDL No:
Product Description
Catalog Number:
AG00559K
Chemical Name:
1H-Indole-2,3-dione, 4,7-dimethyl-5-[2-(1-pyrrolidinyl)ethyl]-
CAS Number:
828911-75-7
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
IUPAC Name:
4,7-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1H-indole-2,3-dione
InChI:
InChI=1S/C16H20N2O2/c1-10-9-12(5-8-18-6-3-4-7-18)11(2)13-14(10)17-16(20)15(13)19/h9H,3-8H2,1-2H3,(H,17,19,20)
InChI Key:
FEJPJEKXDRDWNL-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)c(C)c(cc2C)CCN1CCCC1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.348g/mol
Monoisotopic Mass:
272.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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