Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 1676-74-0
Molecular Formula
C12H10N2O3
Molecular Weight
230.22  g/mol
InChI Key
PZEKHTMDKRBNKY-JTQLQIEISA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S)-4-(1H-indol-3-ylmethyl)-1,3-oxazolidine-2,5-dione
2.1.2 InChI
InChI=1S/C12H10N2O3/c15-11-10(14-12(16)17-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,10,13H,5H2,(H,14,16)/t10-/m0/s1
2.1.3 InChI Key
PZEKHTMDKRBNKY-JTQLQIEISA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)CC3C(=O)OC(=O)N3
2.1.5 Isomeric SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@H]3C(=O)OC(=O)N3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1676-74-0

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 230.22 g/mol
Molecular Formula C12H10N2O3
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area71.2
Heavy Atom Count17
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1