1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

C14H12F3NO — CID 151577152

IUPAC1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESO=C1C(c2cccc(C(F)(F)F)c2)=CCN1C1CC1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)10-3-1-2-9(8-10)12-6-7-18(13(12)19)11-4-5-11/h1-3,6,8,11H,4-5,7H2
InChIKeyQFRQNUBBZANWBC-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.09
Rot. Bonds2

About 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 151577152) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
PubChem CID151577152
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESO=C1C(c2cccc(C(F)(F)F)c2)=CCN1C1CC1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)10-3-1-2-9(8-10)12-6-7-18(13(12)19)11-4-5-11/h1-3,6,8,11H,4-5,7H2
InChIKeyQFRQNUBBZANWBC-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 87022452
7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
CID 123494904
1-cyclopropyl-4,5-diiodo-2-[3-(trifluoromethyl)phenyl]imidazole
CID 67133053
1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 135346548
(1S,2R,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 69106201
(4S)-1-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99768582
2-[[3-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 176730709
3,4-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrole-2,5-dione
CID 71086534
1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 24887970
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 17493906
2-[3-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane
CID 22337678
(4aS,8aR)-4-oxido-3-[3-(trifluoromethyl)phenyl]-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide
CID 7472763

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (CID 151577152) is 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is O=C1C(c2cccc(C(F)(F)F)c2)=CCN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The InChIKey is QFRQNUBBZANWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)10-3-1-2-9(8-10)12-6-7-18(13(12)19)11-4-5-11/h1-3,6,8,11H,4-5,7H2.
What are the key properties of 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 267.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 151577152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).