ethyl 5-ethyl-1H-pyrrole-2-carboxylate

ethyl 5-ethyl-1H-pyrrole-2-carboxylate

CAS: 35011-31-5

Formula: C9H13NO2

SMILES: CCOC(=O)C1=CC=C(CC)N1

IUPAC: ethyl 5-ethyl-1H-pyrrole-2-carboxylate

InChI: InChI=1S/C9H13NO2/c1-3-7-5-6-8(10-7)9(11)12-4-2/h5-6,10H,3-4H2,1-2H3

Composition: C (64.65%), H (7.84%), N (8.38%), O (19.14%)

Molar Mass: 167.208

Atom Count: 25

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.094628663
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	NVGWUBMOJMJEDD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.14
Topological Polar Surface Area	42.09
Polarizability	17.91
Ring Count	1
Rotatable Bond Count	4

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