3-(5-methoxy-1H-indol-3-yl)-3-oxopropanenitrile

3-(5-methoxy-1H-indol-3-yl)-3-oxopropanenitrile

CAS: 821009-89-6

Formula: C12H10N2O2

SMILES: COC1=CC=C2NC=C(C(=O)CC#N)C2=C1

IUPAC: 3-(5-methoxy-1H-indol-3-yl)-3-oxopropanenitrile

InChI: InChI=1S/C12H10N2O2/c1-16-8-2-3-11-9(6-8)10(7-14-11)12(15)4-5-13/h2-3,6-7,14H,4H2,1H3

Composition: C (67.28%), H (4.71%), N (13.08%), O (14.94%)

Molar Mass: 214.224

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	214.07422757
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RLSUMXJQBPJXFH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.33
Topological Polar Surface Area	65.88
Polarizability	23.47
Ring Count	2
Rotatable Bond Count	3

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