benzyl 2-formylpyrrolidine-1-carboxylate

benzyl 2-formylpyrrolidine-1-carboxylate

CAS: 105706-84-1

Formula: C13H15NO3

SMILES: O=CC1CCCN1C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 2-formylpyrrolidine-1-carboxylate

InChI: InChI=1/C13H15NO3/c15-9-12-7-4-8-14(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2

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	ASNHSGGMNWXBEI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.94
Topological Polar Surface Area	46.61
Polarizability	24.47
Ring Count	2
Rotatable Bond Count	4

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