1-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one

1-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one

CAS: 178408-16-7

Formula: C14H16N2O2

SMILES: CN1CCNC(=CC(=O)C2=CC=C(C)C=C2)C1=O

IUPAC: 1-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one

InChI: InChI=1S/C14H16N2O2/c1-10-3-5-11(6-4-10)13(17)9-12-14(18)16(2)8-7-15-12/h3-6,9,15H,7-8H2,1-2H3

Composition: C (68.83%), H (6.60%), N (11.47%), O (13.10%)

Molar Mass: 244.294

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.121177763
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KSTKBIKZMQMAMQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.51
Topological Polar Surface Area	49.41
Polarizability	26.41
Ring Count	2
Rotatable Bond Count	2

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