(10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride

C13H14ClF3N2O — CID 71071994

IUPAC(10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride
SMILESCC1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12.Cl
InChIInChI=1S/C13H13F3N2O.ClH/c1-7-5-17-6-10-8-3-2-4-9(13(14,15)16)11(8)12(19)18(7)10;/h2-4,7,10,17H,5-6H2,1H3;1H/t7?,10-;/m0./s1
InChIKeyJFPNFHMZPBRSBA-QPQWKYTISA-N
MW306.72 g/mol
LogP2.62
Rot. Bonds

About (10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride

(10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride (PubChem CID 71071994) has the molecular formula C13H14ClF3N2O and a molecular weight of 306.72 g/mol. Its IUPAC name is (10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride.

Molecular Properties

Compound Name(10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride
PubChem CID71071994
Molecular FormulaC13H14ClF3N2O
Molecular Weight306.72 g/mol
Exact Mass306.07
IUPAC Name(10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride
SMILESCC1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12.Cl
InChIInChI=1S/C13H13F3N2O.ClH/c1-7-5-17-6-10-8-3-2-4-9(13(14,15)16)11(8)12(19)18(7)10;/h2-4,7,10,17H,5-6H2,1H3;1H/t7?,10-;/m0./s1
InChIKeyJFPNFHMZPBRSBA-QPQWKYTISA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride?
The IUPAC name of (10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride (CID 71071994) is (10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride.
What is the SMILES notation for (10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride?
The canonical SMILES for (10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride is CC1CNC[C@H]2c3cccc(C(F)(F)F)c3C(=O)N12.Cl.
What is the InChIKey of (10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride?
The InChIKey is JFPNFHMZPBRSBA-QPQWKYTISA-N. The full InChI is InChI=1S/C13H13F3N2O.ClH/c1-7-5-17-6-10-8-3-2-4-9(13(14,15)16)11(8)12(19)18(7)10;/h2-4,7,10,17H,5-6H2,1H3;1H/t7?,10-;/m0./s1.
What are the key properties of (10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride?
(10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride has a molecular weight of 306.72 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-4-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride is sourced from PubChem (CID 71071994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).