CC(=O)N1CC(=O)C2=C1C=C(C=C2)C(=O)OC
Name: methyl 1-acetyl-3-oxo-2H-indole-6-carboxylate
SMILES: CC(=O)N1CC(=O)C2=C1C=C(C=C2)C(=O)OC

Molecular Processing

Molecular formula
C12H11NO4
Molecular weight
233.22
Exact mass
233.0688
XLogP
1.02
TPSA
63.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
60.14

Supplementary Information

InChIKey: DEVVBXAGBQXUGL-UHFFFAOYSA-N
Synonyms
SCHEMBL6218301DEVVBXAGBQXUGL-UHFFFAOYSA-Nmethyl 1-acetyl-2,3-dihydroindol-3-one-6-carboxylate
View source →
Involved in 1 reactions→

Extended Search

Substructure Search→Similarity Search→