8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one

C16H11F3N2O — CID 53363540

IUPAC8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one
SMILESO=C1CCc2cc3[nH]c4cc(C(F)(F)F)ccc4c3cc2N1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)9-2-3-10-11-7-12-8(1-4-15(22)21-12)5-13(11)20-14(10)6-9/h2-3,5-7,20H,1,4H2,(H,21,22)
InChIKeyVWSWNLZTAHDXEE-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.22
Rot. Bonds

About 8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one

8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one (PubChem CID 53363540) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one.

Molecular Properties

Compound Name8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one
PubChem CID53363540
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one
SMILESO=C1CCc2cc3[nH]c4cc(C(F)(F)F)ccc4c3cc2N1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)9-2-3-10-11-7-12-8(1-4-15(22)21-12)5-13(11)20-14(10)6-9/h2-3,5-7,20H,1,4H2,(H,21,22)
InChIKeyVWSWNLZTAHDXEE-UHFFFAOYSA-N
XLogP4.22
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Alsterpaullone
CID 5005498
7,12-dihydroindolo(3,2-d)(1)benzazepin-6(5H)-one
CID 369401
9-Methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 385069
9-Fluoro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 385070
7,12-Dihydro-9-(trifluoromethyl)indolo[3,2-d][1]benzazepine-6(5H)-one
CID 396079
11-Methylpaullone
CID 397718
11-Ethylpaullone
CID 397719
3-(6-Oxo-9-trifluoromethyl-5,6,7,12-tetrahydro-indolo[3,2-d][1]benzazepin-2-yl)-propionitrile
CID 5331105
2-Iodopaullone
CID 5331109
(E)-3-(6-oxo-9-trifluoromethyl-5,6,7,12-tetrahydro-indolo[3,2-d][1]benzazepin-2-yl)-acrylonitrile
CID 5331112
2-Iodo-9-trifluoromethylpaullone
CID 5331122
2-(2-oxopropyl)-9-trifluoromethyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 6538749

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one?
The IUPAC name of 8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one (CID 53363540) is 8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one.
What is the SMILES notation for 8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one?
The canonical SMILES for 8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one is O=C1CCc2cc3[nH]c4cc(C(F)(F)F)ccc4c3cc2N1.
What is the InChIKey of 8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one?
The InChIKey is VWSWNLZTAHDXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)9-2-3-10-11-7-12-8(1-4-15(22)21-12)5-13(11)20-14(10)6-9/h2-3,5-7,20H,1,4H2,(H,21,22).
What are the key properties of 8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one?
8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one has a molecular weight of 304.27 g/mol, XLogP of 4.22, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-1,3,4,6-tetrahydropyrido[3,2-b]carbazol-2-one is sourced from PubChem (CID 53363540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).