10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one

C19H14F3NO — CID 51360958

IUPAC10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one
SMILESO=C1c2cccc(-c3ccc(C(F)(F)F)cc3)c2C2CC=CCN12
InChIInChI=1S/C19H14F3NO/c20-19(21,22)13-9-7-12(8-10-13)14-4-3-5-15-17(14)16-6-1-2-11-23(16)18(15)24/h1-5,7-10,16H,6,11H2
InChIKeyYAVYKDPEGMPSIY-UHFFFAOYSA-N
MW329.32 g/mol
LogP4.83
Rot. Bonds1

About 10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one

10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one (PubChem CID 51360958) has the molecular formula C19H14F3NO and a molecular weight of 329.32 g/mol. Its IUPAC name is 10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one.

Molecular Properties

Compound Name10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one
PubChem CID51360958
Molecular FormulaC19H14F3NO
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one
SMILESO=C1c2cccc(-c3ccc(C(F)(F)F)cc3)c2C2CC=CCN12
InChIInChI=1S/C19H14F3NO/c20-19(21,22)13-9-7-12(8-10-13)14-4-3-5-15-17(14)16-6-1-2-11-23(16)18(15)24/h1-5,7-10,16H,6,11H2
InChIKeyYAVYKDPEGMPSIY-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one?
The IUPAC name of 10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one (CID 51360958) is 10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one.
What is the SMILES notation for 10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one?
The canonical SMILES for 10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one is O=C1c2cccc(-c3ccc(C(F)(F)F)cc3)c2C2CC=CCN12.
What is the InChIKey of 10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one?
The InChIKey is YAVYKDPEGMPSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO/c20-19(21,22)13-9-7-12(8-10-13)14-4-3-5-15-17(14)16-6-1-2-11-23(16)18(15)24/h1-5,7-10,16H,6,11H2.
What are the key properties of 10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one?
10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one has a molecular weight of 329.32 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(trifluoromethyl)phenyl]-4,10b-dihydro-1H-pyrido[1,2-b]isoindol-6-one is sourced from PubChem (CID 51360958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).