ethyl 5-ethoxy-1H-indole-2-carboxylate

ethyl 5-ethoxy-1H-indole-2-carboxylate

CAS: 16382-17-5

Formula: C13H15NO3

SMILES: CCOC(=O)C1=CC2=CC(OCC)=CC=C2N1

IUPAC: ethyl 5-ethoxy-1H-indole-2-carboxylate

InChI: InChI=1S/C13H15NO3/c1-3-16-10-5-6-11-9(7-10)8-12(14-11)13(15)17-4-2/h5-8,14H,3-4H2,1-2H3

Composition: C (66.94%), H (6.48%), N (6.00%), O (20.58%)

Molar Mass: 233.267

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	233.105193347
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IMFWDOPIAXKRBO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.01
Topological Polar Surface Area	51.32
Polarizability	26.16
Ring Count	2
Rotatable Bond Count	5

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