tert-butyl 3-(iodomethyl)pyrrolidine-1-carboxylate

tert-butyl 3-(iodomethyl)pyrrolidine-1-carboxylate

CAS: 479622-36-1

Formula: C10H18INO2

SMILES: CC(C)(C)OC(=O)N1CCC(CI)C1

IUPAC: tert-butyl 3-(iodomethyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C10H18INO2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3

Composition: C (38.60%), H (5.83%), I (40.78%), N (4.50%), O (10.28%)

Molar Mass: 311.163

Atom Count: 32

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	311.03822
Formal Charge	0
FSP3	0.9
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DNUFVBGZKFHSDQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.81
Topological Polar Surface Area	29.54
Polarizability	25.4
Ring Count	1
Rotatable Bond Count	3

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