3,4-diethyl 1H-pyrrole-3,4-dicarboxylate

3,4-diethyl 1H-pyrrole-3,4-dicarboxylate

CAS: 41969-71-5

Formula: C10H13NO4

SMILES: CCOC(=O)C1=CNC=C1C(=O)OCC

IUPAC: 3,4-diethyl 1H-pyrrole-3,4-dicarboxylate

InChI: InChI=1S/C10H13NO4/c1-3-14-9(12)7-5-11-6-8(7)10(13)15-4-2/h5-6,11H,3-4H2,1-2H3

Composition: C (56.87%), H (6.20%), N (6.63%), O (30.30%)

Molar Mass: 211.217

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	211.084457903
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QKXBVVVYILIRDO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.36
Topological Polar Surface Area	68.39
Polarizability	20.64
Ring Count	1
Rotatable Bond Count	6

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