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N-[4-(pyrrolidin-1-yl)phenyl]prop-2-enamide

N-[4-(pyrrolidin-1-yl)phenyl]prop-2-enamide

CAS: 1155013-80-1

Formula: C13H16N2O

SMILES: C=CC(=O)NC1=CC=C(C=C1)N1CCCC1

IUPAC: N-[4-(pyrrolidin-1-yl)phenyl]prop-2-enamide

InChI: InChI=1S/C13H16N2O/c1-2-13(16)14-11-5-7-12(8-6-11)15-9-3-4-10-15/h2,5-8H,1,3-4,9-10H2,(H,14,16)

Composition: C (72.19%), H (7.46%), N (12.95%), O (7.40%)

Molar Mass: 216.284

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 216.126263143
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VYPRAUMTVDGXSO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.54
Topological Polar Surface Area 32.34
Polarizability 24.58
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1155013-80-1 $51.35-$86.31$51.35$63.37$86.31
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