benzyl 2-(3-phenoxyprop-1-en-1-yl)pyrrolidine-1-carboxylate

benzyl 2-(3-phenoxyprop-1-en-1-yl)pyrrolidine-1-carboxylate

CAS: 956979-03-6

Formula: C21H23NO3

SMILES: O=C(OCC1=CC=CC=C1)N1CCCC1C=CCOC1=CC=CC=C1

IUPAC: benzyl 2-(3-phenoxyprop-1-en-1-yl)pyrrolidine-1-carboxylate

InChI: InChI=1/C21H23NO3/c23-21(25-17-18-9-3-1-4-10-18)22-15-7-11-19(22)12-8-16-24-20-13-5-2-6-14-20/h1-6,8-10,12-14,19H,7,11,15-17H2

Composition: C (74.75%), H (6.87%), N (4.15%), O (14.22%)

Molar Mass: 337.419

Atom Count: 48

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	337.167793605
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RPWKCCRFSJKBCQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.58
Topological Polar Surface Area	38.77
Polarizability	38.1
Ring Count	3
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	956979-03-6		$51.35-$86.31$51.35$63.37$86.31