ethyl 4-(1H-indol-3-yl)-4-oxobutanoate

ethyl 4-(1H-indol-3-yl)-4-oxobutanoate

CAS: 21859-98-3

Formula: C14H15NO3

SMILES: CCOC(=O)CCC(=O)C1=CNC2=CC=CC=C12

IUPAC: ethyl 4-(1H-indol-3-yl)-4-oxobutanoate

InChI: InChI=1S/C14H15NO3/c1-2-18-14(17)8-7-13(16)11-9-15-12-6-4-3-5-10(11)12/h3-6,9,15H,2,7-8H2,1H3

Composition: C (68.56%), H (6.16%), N (5.71%), O (19.57%)

Molar Mass: 245.278

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	245.105193347
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NBCHRYLOXWMPGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.96
Topological Polar Surface Area	59.16
Polarizability	27.4
Ring Count	2
Rotatable Bond Count	6

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