tert-butyl 2-(2-chloroacetyl)pyrrolidine-1-carboxylate

tert-butyl 2-(2-chloroacetyl)pyrrolidine-1-carboxylate

CAS: 848819-60-3

Formula: C11H18ClNO3

SMILES: CC(C)(C)OC(=O)N1CCCC1C(=O)CCl

IUPAC: tert-butyl 2-(2-chloroacetyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C11H18ClNO3/c1-11(2,3)16-10(15)13-6-4-5-8(13)9(14)7-12/h8H,4-7H2,1-3H3

Composition: C (53.34%), H (7.32%), Cl (14.31%), N (5.65%), O (19.38%)

Molar Mass: 247.72

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	247.0975211
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	FXJFCSOQVPPIHK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.36
Topological Polar Surface Area	46.61
Polarizability	24.15
Ring Count	1
Rotatable Bond Count	4

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