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

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

CAS: 2459725-70-1

Formula: C12H12N2O

SMILES: CC(C#N)C1=CC=C(NC(=O)C=C)C=C1

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

InChI: InChI=1/C12H12N2O/c1-3-12(15)14-11-6-4-10(5-7-11)9(2)8-13/h3-7,9H,1H2,2H3,(H,14,15)

Composition: C (71.98%), H (6.04%), N (13.99%), O (7.99%)

Molar Mass: 200.241

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 200.094963014
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DXFDBDRRIDVHRK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.43
Topological Polar Surface Area 52.89
Polarizability 22.17
Ring Count 1
Rotatable Bond Count 3

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