ethyl 5-(4-nitrophenyl)-2-(piperidin-1-yl)-1H-pyrrole-3-carboxylate

ethyl 5-(4-nitrophenyl)-2-(piperidin-1-yl)-1H-pyrrole-3-carboxylate

CAS: 338406-28-3

Formula: C18H21N3O4

SMILES: CCOC(=O)C1=C(NC(=C1)C1=CC=C(C=C1)[N+]([O-])=O)N1CCCCC1

IUPAC: ethyl 5-(4-nitrophenyl)-2-(piperidin-1-yl)-1H-pyrrole-3-carboxylate

InChI: InChI=1S/C18H21N3O4/c1-2-25-18(22)15-12-16(13-6-8-14(9-7-13)21(23)24)19-17(15)20-10-4-3-5-11-20/h6-9,12,19H,2-5,10-11H2,1H3

Composition: C (62.96%), H (6.16%), N (12.24%), O (18.64%)

Molar Mass: 343.383

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	343.153206168
Formal Charge	0
FSP3	0.39
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ODSFCUUITDXKJO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.75
Topological Polar Surface Area	88.47
Polarizability	36.72
Ring Count	3
Rotatable Bond Count	6

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