8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one

C13H12F3NO — CID 102581433

IUPAC8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one
SMILESO=C1CC2CCCN2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H12F3NO/c14-13(15,16)8-3-4-10-11(6-8)17-5-1-2-9(17)7-12(10)18/h3-4,6,9H,1-2,5,7H2
InChIKeyQZFMTJCAWVUOTJ-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.26
Rot. Bonds

About 8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one

8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one (PubChem CID 102581433) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one.

Molecular Properties

Compound Name8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one
PubChem CID102581433
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one
SMILESO=C1CC2CCCN2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H12F3NO/c14-13(15,16)8-3-4-10-11(6-8)17-5-1-2-9(17)7-12(10)18/h3-4,6,9H,1-2,5,7H2
InChIKeyQZFMTJCAWVUOTJ-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(Trifluorophenyl)quinolin-4-ol
CID 67582
4-Quinolinone, 1,2,3,4-tetrahydro-1,3,3-trimethyl-
CID 99218
6-(Trifluoromethyl)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 53363018
6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 53363019
1-(4-Trifluoromethylbenzyl)isatin
CID 10946670
1-methyl-2,3-dihydro-4(1H)-quinolinone
CID 420419
4-Quinolinone, 1,2,3,4-tetrahydro-1,3-dimethyl-
CID 103759
3-Fluoro-10-methyl-9-acridinone
CID 24761354
[4-(Piperidin-1-ylmethyl)phenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone
CID 156018046
[4-(1-Piperidin-1-ylethyl)phenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone
CID 156019221
1,2-dimethyl-2H-indol-3-one
CID 69949705
1-Methyl-1,2-Dihydro-3h-Indol-3-One
CID 10125067

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The IUPAC name of 8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one (CID 102581433) is 8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one.
What is the SMILES notation for 8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The canonical SMILES for 8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one is O=C1CC2CCCN2c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The InChIKey is QZFMTJCAWVUOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c14-13(15,16)8-3-4-10-11(6-8)17-5-1-2-9(17)7-12(10)18/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one has a molecular weight of 255.24 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one is sourced from PubChem (CID 102581433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).