(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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Related Compounds

CID 134960196
CID 134960196
CID 134960516
CID 134960516
CID 134960675
CID 134960675
CID 134969292
CID 134969292
CID 174306988
CID 174306988
CID 169152842
CID 169152842

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).