methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate

methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate

CAS: 51535-00-3

Formula: C13H15NO3

SMILES: COC(=O)C1CN(CC2=CC=CC=C2)C(=O)C1

IUPAC: methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate

InChI: InChI=1/C13H15NO3/c1-17-13(16)11-7-12(15)14(9-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3

Composition: C (66.94%), H (6.48%), N (6.00%), O (20.58%)

Molar Mass: 233.267

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	233.105193347
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WTRWSSDZHQOPJI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.62
Topological Polar Surface Area	46.61
Polarizability	24.47
Ring Count	2
Rotatable Bond Count	4

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