ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

CAS: 54278-10-3

Formula: C14H21NO4

SMILES: CCOC(=O)CCC1=C(C)NC(C(=O)OCC)=C1C

IUPAC: ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

InChI: InChI=1S/C14H21NO4/c1-5-18-12(16)8-7-11-9(3)13(15-10(11)4)14(17)19-6-2/h15H,5-8H2,1-4H3

Composition: C (62.90%), H (7.92%), N (5.24%), O (23.94%)

Molar Mass: 267.325

Atom Count: 40

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	267.14705816
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZYNJVGCLOFPWFZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.09
Topological Polar Surface Area	68.39
Polarizability	27.83
Ring Count	1
Rotatable Bond Count	8

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