N-[(3-nitrophenyl)(prop-2-enamido)methyl]prop-2-enamide

N-[(3-nitrophenyl)(prop-2-enamido)methyl]prop-2-enamide

Formula: C13H13N3O4

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

IUPAC: N-[(3-nitrophenyl)(prop-2-enamido)methyl]prop-2-enamide

InChI: InChI=1S/C13H13N3O4/c1-3-11(17)14-13(15-12(18)4-2)9-6-5-7-10(8-9)16(19)20/h3-8,13H,1-2H2,(H,14,17)(H,15,18)

Composition: C (56.72%), H (4.76%), N (15.27%), O (23.25%)

Molar Mass: 275.264

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	275.090605911
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JNHDBJCXXGQODI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.72
Topological Polar Surface Area	101.34
Polarizability	27.06
Ring Count	1
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H13N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00