2-tert-butyl-4-methyl-1H-indole

2-tert-butyl-4-methyl-1H-indole

CAS: 57880-12-3

Formula: C13H17N

SMILES: CC1=C2C=C(NC2=CC=C1)C(C)(C)C

IUPAC: 2-tert-butyl-4-methyl-1H-indole

InChI: InChI=1S/C13H17N/c1-9-6-5-7-11-10(9)8-12(14-11)13(2,3)4/h5-8,14H,1-4H3

Composition: C (83.37%), H (9.15%), N (7.48%)

Molar Mass: 187.286

Atom Count: 31

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	187.136099551
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
InChIKey	CAWMRDGUUBKNRS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.73
Topological Polar Surface Area	15.79
Polarizability	24.72
Ring Count	2
Rotatable Bond Count	1

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