(10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one

C19H23F3N2O — CID 143031929

IUPAC(10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one
SMILESC[C@@]12CNCCN1C(=O)c1c(C(F)(F)F)cc(C3CCCCC3)cc12
InChIInChI=1S/C19H23F3N2O/c1-18-11-23-7-8-24(18)17(25)16-14(18)9-13(10-15(16)19(20,21)22)12-5-3-2-4-6-12/h9-10,12,23H,2-8,11H2,1H3/t18-/m0/s1
InChIKeyICUOCVDCTIKGOR-SFHVURJKSA-N
MW352.40 g/mol
LogP4.03
Rot. Bonds1

About (10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one

(10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one (PubChem CID 143031929) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is (10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one.

Molecular Properties

Compound Name(10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one
PubChem CID143031929
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name(10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one
SMILESC[C@@]12CNCCN1C(=O)c1c(C(F)(F)F)cc(C3CCCCC3)cc12
InChIInChI=1S/C19H23F3N2O/c1-18-11-23-7-8-24(18)17(25)16-14(18)9-13(10-15(16)19(20,21)22)12-5-3-2-4-6-12/h9-10,12,23H,2-8,11H2,1H3/t18-/m0/s1
InChIKeyICUOCVDCTIKGOR-SFHVURJKSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1,4-diazabicyclo[4.1.0]heptan-7-one
CID 141144834
(10bR)-10b-amino-9-[(2-methoxy-3-pyridinyl)amino]-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one
CID 163744653
(10bR)-9-(1-methylcyclopropyl)-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 11233293
1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine
CID 65484601
4-cyclopropyl-2-(1-methylpiperazin-2-yl)-6-(trifluoromethyl)benzaldehyde
CID 143031990
(10bR)-9-[(1S,2S)-2-methylcyclopropyl]-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 58911621
[4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane
CID 146498942
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CID 68689133
6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one
CID 54762038
4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene
CID 168837355
1,3,5-tricyclopentylbenzene
CID 611596
4-[(8aS)-8a-methyl-3-oxo-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]-2-(trifluoromethyl)benzonitrile
CID 58855867

Frequently Asked Questions

What is the IUPAC name of (10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one?
The IUPAC name of (10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one (CID 143031929) is (10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one.
What is the SMILES notation for (10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one?
The canonical SMILES for (10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one is C[C@@]12CNCCN1C(=O)c1c(C(F)(F)F)cc(C3CCCCC3)cc12.
What is the InChIKey of (10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one?
The InChIKey is ICUOCVDCTIKGOR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-18-11-23-7-8-24(18)17(25)16-14(18)9-13(10-15(16)19(20,21)22)12-5-3-2-4-6-12/h9-10,12,23H,2-8,11H2,1H3/t18-/m0/s1.
What are the key properties of (10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one?
(10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one has a molecular weight of 352.40 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-9-cyclohexyl-10b-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[2,1-a]isoindol-6-one is sourced from PubChem (CID 143031929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).