1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one

C17H13F3N2O2 — CID 177043863

IUPAC1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one
SMILESO=Nc1cc(N2CCC(c3ccccc3)C2=O)cc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)12-8-13(21-24)10-14(9-12)22-7-6-15(16(22)23)11-4-2-1-3-5-11/h1-5,8-10,15H,6-7H2
InChIKeyLSFNEEWWDGPWPL-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.62
Rot. Bonds3

About 1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one

1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one (PubChem CID 177043863) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one
PubChem CID177043863
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one
SMILESO=Nc1cc(N2CCC(c3ccccc3)C2=O)cc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)12-8-13(21-24)10-14(9-12)22-7-6-15(16(22)23)11-4-2-1-3-5-11/h1-5,8-10,15H,6-7H2
InChIKeyLSFNEEWWDGPWPL-UHFFFAOYSA-N
XLogP4.62
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one
CID 175939798
3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 116700143
3-[bromo(triphenyl)-λ5-phosphanyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 140976510
(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751
2-[1-[3,5-bis(trifluoromethyl)phenyl]-2-oxopyrrolidin-3-yl]sulfanylbutanoic acid
CID 87239721
1-[3-bromo-5-(trifluoromethyl)phenyl]-3-(methylamino)pyrrolidin-2-one
CID 65489048
(2S,6R,7R)-7-phenyl-4-[3-(trifluoromethyl)phenyl]-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 7213464
1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one
CID 175984364
3-fluoro-1-phenylpyrrolidin-2-one
CID 157010734
2-[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetate
CID 152760268
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
(3R)-1-acetyl-3-phenylpyrrolidin-2-one
CID 6991154

Frequently Asked Questions

What is the IUPAC name of 1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one?
The IUPAC name of 1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one (CID 177043863) is 1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one?
The canonical SMILES for 1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one is O=Nc1cc(N2CCC(c3ccccc3)C2=O)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one?
The InChIKey is LSFNEEWWDGPWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)12-8-13(21-24)10-14(9-12)22-7-6-15(16(22)23)11-4-2-1-3-5-11/h1-5,8-10,15H,6-7H2.
What are the key properties of 1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one?
1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one has a molecular weight of 334.30 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one is sourced from PubChem (CID 177043863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).