N-(2H-1,3-benzodioxol-5-yl)-2-cyanoacetamide

N-(2H-1,3-benzodioxol-5-yl)-2-cyanoacetamide

CAS: 142555-09-7

Formula: C10H8N2O3

SMILES: O=C(CC#N)NC1=CC2=C(OCO2)C=C1

IUPAC: N-(2H-1,3-benzodioxol-5-yl)-2-cyanoacetamide

InChI: InChI=1S/C10H8N2O3/c11-4-3-10(13)12-7-1-2-8-9(5-7)15-6-14-8/h1-2,5H,3,6H2,(H,12,13)

Composition: C (58.82%), H (3.95%), N (13.72%), O (23.51%)

Molar Mass: 204.185

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.053492126
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IPGDELMADGDOMC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.01
Topological Polar Surface Area	71.35
Polarizability	19.43
Ring Count	2
Rotatable Bond Count	2

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