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

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

CAS: 931074-88-3

Formula: C13H14N2O2

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

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

InChI: InChI=1S/C13H14N2O2/c1-2-12(16)14-10-5-7-11(8-6-10)15-9-3-4-13(15)17/h2,5-8H,1,3-4,9H2,(H,14,16)

Composition: C (67.81%), H (6.13%), N (12.17%), O (13.90%)

Molar Mass: 230.267

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.105527699
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RRWINAXQMJHSAD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.44
Topological Polar Surface Area 49.41
Polarizability 24.64
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
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90% <2 Days 931074-88-3 $51.35-$86.31$51.35$63.37$86.31
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