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1-(3,5-dichlorophenyl)-3-[(dimethylamino)methylidene]pyrrolidin-2-one

1-(3,5-dichlorophenyl)-3-[(dimethylamino)methylidene]pyrrolidin-2-one

CAS: 343375-72-4

Formula: C13H14Cl2N2O

SMILES: CN(C)C=C1CCN(C1=O)C1=CC(Cl)=CC(Cl)=C1

IUPAC: 1-(3,5-dichlorophenyl)-3-[(dimethylamino)methylidene]pyrrolidin-2-one

InChI: InChI=1S/C13H14Cl2N2O/c1-16(2)8-9-3-4-17(13(9)18)12-6-10(14)5-11(15)7-12/h5-8H,3-4H2,1-2H3

Composition: C (54.75%), H (4.95%), Cl (24.86%), N (9.82%), O (5.61%)

Molar Mass: 285.17

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 284.0483185
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XMWLPRJAUISLJI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.62
Topological Polar Surface Area 23.55
Polarizability 28.35
Ring Count 2
Rotatable Bond Count 2

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