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

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

CAS: 1000576-51-1

Formula: C11H8N2O2

SMILES: COC(=O)C1=CC=C2C(NC=C2C#N)=C1

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

InChI: InChI=1S/C11H8N2O2/c1-15-11(14)7-2-3-9-8(5-12)6-13-10(9)4-7/h2-4,6,13H,1H3

Composition: C (66.00%), H (4.03%), N (13.99%), O (15.98%)

Molar Mass: 200.197

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	200.058577506
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YBZVEPCMUWGFNW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.89
Topological Polar Surface Area	65.88
Polarizability	21.79
Ring Count	2
Rotatable Bond Count	2

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