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1-[3-(4-aminophenyl)propanoyl]azetidin-2-one

1-[3-(4-aminophenyl)propanoyl]azetidin-2-one

CAS: 1024869-25-7

Formula: C12H14N2O2

SMILES: NC1=CC=C(CCC(=O)N2CCC2=O)C=C1

IUPAC: 1-[3-(4-aminophenyl)propanoyl]azetidin-2-one

InChI: InChI=1S/C12H14N2O2/c13-10-4-1-9(2-5-10)3-6-11(15)14-8-7-12(14)16/h1-2,4-5H,3,6-8,13H2

Composition: C (66.04%), H (6.47%), N (12.84%), O (14.66%)

Molar Mass: 218.256

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 218.105527699
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CCVFEHRZMGTCMR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.09
Topological Polar Surface Area 63.4
Polarizability 23.08
Ring Count 2
Rotatable Bond Count 3

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