(1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one

C15H12F3NO — CID 134960464

IUPAC(1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
SMILESC=C[C@@H]1CCc2ccc3c(=O)cc(C(F)(F)F)cc-3n21
InChIInChI=1S/C15H12F3NO/c1-2-10-3-4-11-5-6-12-13(19(10)11)7-9(8-14(12)20)15(16,17)18/h2,5-8,10H,1,3-4H2/t10-/m1/s1
InChIKeyUKOZUGWZQVBAHN-SNVBAGLBSA-N
MW279.26 g/mol
LogP3.65
Rot. Bonds1

About (1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one

(1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one (PubChem CID 134960464) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is (1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one.

Molecular Properties

Compound Name(1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
PubChem CID134960464
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name(1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
SMILESC=C[C@@H]1CCc2ccc3c(=O)cc(C(F)(F)F)cc-3n21
InChIInChI=1S/C15H12F3NO/c1-2-10-3-4-11-5-6-12-13(19(10)11)7-9(8-14(12)20)15(16,17)18/h2,5-8,10H,1,3-4H2/t10-/m1/s1
InChIKeyUKOZUGWZQVBAHN-SNVBAGLBSA-N
XLogP3.65
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one?
The IUPAC name of (1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one (CID 134960464) is (1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one.
What is the SMILES notation for (1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one?
The canonical SMILES for (1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one is C=C[C@@H]1CCc2ccc3c(=O)cc(C(F)(F)F)cc-3n21.
What is the InChIKey of (1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one?
The InChIKey is UKOZUGWZQVBAHN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-2-10-3-4-11-5-6-12-13(19(10)11)7-9(8-14(12)20)15(16,17)18/h2,5-8,10H,1,3-4H2/t10-/m1/s1.
What are the key properties of (1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one?
(1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one has a molecular weight of 279.26 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one is sourced from PubChem (CID 134960464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).