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4-Phenyl-2-pyrrolidone

CAT: 0926-FP33249-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-FP33249-01Size:2 g
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CAS Number
1198-97-6
MDL Number
MFCD01687226
Smiles
C1C (CNC1=O) C2=CC=CC=C2
Molecular Formula
C10H11NO
Molecular Weight
161.2 g/mol
Controlled
No

Chemical Information

4-Phenyl-2-pyrrolidinone
CAS Number1198-97-6
PubChem CID121397
IUPAC Name4-phenylpyrrolidin-2-one
Molecular FormulaC10H11NO
Molecular Weight161.20
XLogP1
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity173
SMILES
C1C(CNC1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H11NO/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChIKey
HOJZEMQCQRPLQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Phenyl-2-pyrrolidinone
CAS: 1198-97-6
CID: 121397
Formula: C10H11NO
MW: 161.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.20
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass161.084063974
Monoisotopic Mass161.084063974
Topological Polar Surface Area29.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity173
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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