ethyl 5-phenyl-2-(pyrrolidin-1-yl)-1H-pyrrole-3-carboxylate

ethyl 5-phenyl-2-(pyrrolidin-1-yl)-1H-pyrrole-3-carboxylate

CAS: 118082-59-0

Formula: C17H20N2O2

SMILES: CCOC(=O)C1=C(NC(=C1)C1=CC=CC=C1)N1CCCC1

IUPAC: ethyl 5-phenyl-2-(pyrrolidin-1-yl)-1H-pyrrole-3-carboxylate

InChI: InChI=1S/C17H20N2O2/c1-2-21-17(20)14-12-15(13-8-4-3-5-9-13)18-16(14)19-10-6-7-11-19/h3-5,8-9,12,18H,2,6-7,10-11H2,1H3

Composition: C (71.81%), H (7.09%), N (9.85%), O (11.25%)

Molar Mass: 284.359

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	284.152477892
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	TVCCVTNTSHOKQT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.83
Topological Polar Surface Area	45.33
Polarizability	33.03
Ring Count	3
Rotatable Bond Count	5

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95%	<2 Days	118082-59-0		$51.35-$2,133.65$51.35$63.37$86.31$442.46$712.31$2,133.65