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

C15H16ClF3N2O — CID 68688237

IUPAC(1R,10bS)-1-cyclopropyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride
SMILESCl.O=C1c2c(cccc2C(F)(F)F)[C@H]2[C@@H](C3CC3)NCCN12
InChIInChI=1S/C15H15F3N2O.ClH/c16-15(17,18)10-3-1-2-9-11(10)14(21)20-7-6-19-12(13(9)20)8-4-5-8;/h1-3,8,12-13,19H,4-7H2;1H/t12-,13+;/m1./s1
InChIKeyGUYIXFXQFXOOSQ-KZCZEQIWSA-N
MW332.75 g/mol
LogP3.01
Rot. Bonds1

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

(1R,10bS)-1-cyclopropyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride (PubChem CID 68688237) has the molecular formula C15H16ClF3N2O and a molecular weight of 332.75 g/mol. Its IUPAC name is (1R,10bS)-1-cyclopropyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride.

Molecular Properties

Compound Name(1R,10bS)-1-cyclopropyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride
PubChem CID68688237
Molecular FormulaC15H16ClF3N2O
Molecular Weight332.75 g/mol
Exact Mass332.09
IUPAC Name(1R,10bS)-1-cyclopropyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride
SMILESCl.O=C1c2c(cccc2C(F)(F)F)[C@H]2[C@@H](C3CC3)NCCN12
InChIInChI=1S/C15H15F3N2O.ClH/c16-15(17,18)10-3-1-2-9-11(10)14(21)20-7-6-19-12(13(9)20)8-4-5-8;/h1-3,8,12-13,19H,4-7H2;1H/t12-,13+;/m1./s1
InChIKeyGUYIXFXQFXOOSQ-KZCZEQIWSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,10bS)-1-cyclopropyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride?
The IUPAC name of (1R,10bS)-1-cyclopropyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride (CID 68688237) is (1R,10bS)-1-cyclopropyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride.
What is the SMILES notation for (1R,10bS)-1-cyclopropyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride?
The canonical SMILES for (1R,10bS)-1-cyclopropyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride is Cl.O=C1c2c(cccc2C(F)(F)F)[C@H]2[C@@H](C3CC3)NCCN12.
What is the InChIKey of (1R,10bS)-1-cyclopropyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride?
The InChIKey is GUYIXFXQFXOOSQ-KZCZEQIWSA-N. The full InChI is InChI=1S/C15H15F3N2O.ClH/c16-15(17,18)10-3-1-2-9-11(10)14(21)20-7-6-19-12(13(9)20)8-4-5-8;/h1-3,8,12-13,19H,4-7H2;1H/t12-,13+;/m1./s1.
What are the key properties of (1R,10bS)-1-cyclopropyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride?
(1R,10bS)-1-cyclopropyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride has a molecular weight of 332.75 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10bS)-1-cyclopropyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride is sourced from PubChem (CID 68688237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).