methyl 6-methyl-1H-indole-3-carboxylate

methyl 6-methyl-1H-indole-3-carboxylate

CAS: 163083-65-6

Formula: C11H11NO2

SMILES: COC(=O)C1=CNC2=CC(C)=CC=C12

IUPAC: methyl 6-methyl-1H-indole-3-carboxylate

InChI: InChI=1S/C11H11NO2/c1-7-3-4-8-9(11(13)14-2)6-12-10(8)5-7/h3-6,12H,1-2H3

Composition: C (69.83%), H (5.86%), N (7.40%), O (16.91%)

Molar Mass: 189.214

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	189.078978598
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	NJLDFQYDDBCJGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.21
Topological Polar Surface Area	42.09
Polarizability	21.73
Ring Count	2
Rotatable Bond Count	2

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