tert-butyl 3-cyano-3-(hydroxymethyl)pyrrolidine-1-carboxylate

tert-butyl 3-cyano-3-(hydroxymethyl)pyrrolidine-1-carboxylate

CAS: 1374656-61-7

Formula: C11H18N2O3

SMILES: CC(C)(C)OC(=O)N1CCC(CO)(C1)C#N

IUPAC: tert-butyl 3-cyano-3-(hydroxymethyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C11H18N2O3/c1-10(2,3)16-9(15)13-5-4-11(6-12,7-13)8-14/h14H,4-5,7-8H2,1-3H3

Composition: C (58.39%), H (8.02%), N (12.38%), O (21.21%)

Molar Mass: 226.276

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	226.131742448
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HYHLNEMZYSJADY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.57
Topological Polar Surface Area	73.56
Polarizability	22.69
Ring Count	1
Rotatable Bond Count	3

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