methyl 3-amino-6-methoxy-1H-indole-2-carboxylate

methyl 3-amino-6-methoxy-1H-indole-2-carboxylate

CAS: 696649-63-5

Formula: C11H12N2O3

SMILES: COC(=O)C1=C(N)C2=CC=C(OC)C=C2N1

IUPAC: methyl 3-amino-6-methoxy-1H-indole-2-carboxylate

InChI: InChI=1S/C11H12N2O3/c1-15-6-3-4-7-8(5-6)13-10(9(7)12)11(14)16-2/h3-5,13H,12H2,1-2H3

Composition: C (59.99%), H (5.49%), N (12.72%), O (21.79%)

Molar Mass: 220.228

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	220.084792254
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RBSGNWXMWYXCGC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.21
Topological Polar Surface Area	77.34
Polarizability	23.62
Ring Count	2
Rotatable Bond Count	3

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