1-(3-nitrophenyl)piperazin-2-one

1-(3-nitrophenyl)piperazin-2-one

CAS: 215649-84-6

Formula: C10H11N3O3

SMILES: [O-][N+](=O)C1=CC=CC(=C1)N1CCNCC1=O

IUPAC: 1-(3-nitrophenyl)piperazin-2-one

InChI: InChI=1S/C10H11N3O3/c14-10-7-11-4-5-12(10)8-2-1-3-9(6-8)13(15)16/h1-3,6,11H,4-5,7H2

Composition: C (54.30%), H (5.01%), N (19.00%), O (21.70%)

Molar Mass: 221.216

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.080041226
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VFWUZSXMPSDONN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.52
Topological Polar Surface Area	75.48
Polarizability	21.6
Ring Count	2
Rotatable Bond Count	2

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