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2,4-diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate

2,4-diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate

CAS: 853058-40-9

Formula: C10H14N2O4

SMILES: CCOC(=O)C1=C(N)C(=CN1)C(=O)OCC

IUPAC: 2,4-diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate

InChI: InChI=1S/C10H14N2O4/c1-3-15-9(13)6-5-12-8(7(6)11)10(14)16-4-2/h5,12H,3-4,11H2,1-2H3

Composition: C (53.09%), H (6.24%), N (12.38%), O (28.29%)

Molar Mass: 226.232

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 226.095356939
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JLMFCRWHSHFKAJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.94
Topological Polar Surface Area 94.41
Polarizability 21.8
Ring Count 1
Rotatable Bond Count 6

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