7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one

C14H18N2O2 — CID 11231392

IUPAC7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
SMILESCC(C)Oc1cccc2c1C(=O)N1CCNCC21
InChIInChI=1S/C14H18N2O2/c1-9(2)18-12-5-3-4-10-11-8-15-6-7-16(11)14(17)13(10)12/h3-5,9,11,15H,6-8H2,1-2H3
InChIKeyOGYGHKGXCTYKEZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.57
Rot. Bonds2

About 7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one

7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one (PubChem CID 11231392) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one.

Molecular Properties

Compound Name7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
PubChem CID11231392
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
SMILESCC(C)Oc1cccc2c1C(=O)N1CCNCC21
InChIInChI=1S/C14H18N2O2/c1-9(2)18-12-5-3-4-10-11-8-15-6-7-16(11)14(17)13(10)12/h3-5,9,11,15H,6-8H2,1-2H3
InChIKeyOGYGHKGXCTYKEZ-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetic acid
CID 25015436
3-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353229
3-[3-oxo-7-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353322
3-[7-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353412
3-[3-oxo-7-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 67332604
(+/-)-7-hydroxy-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11253485
(+/-)-1,3,4,10b-tetrahydro-7-methoxy-pyrazino[2,1-a]isoindol-6(2H)-one
CID 11290492
(R)-8-chloro-7-methoxy-1,3,4,10b-tetrahydropyrazino[2,1-a]-isoindol-6(2H)-one
CID 11300712
(+/-)-1,3,4,10b-tetrahydro-7-trifluoromethoxypyrazino[2,1-a]-isoindol-6(2H)-one
CID 11448649
(11aR)-10-ethoxy-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one
CID 11630147
(R)-9-ethoxy-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 11739217
(R)-8-ethyl-7-methoxy-1,3,4,10b-tetrahydropyrazino[2,1-a]-isoindol-6(2H)-one
CID 16115517

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The IUPAC name of 7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one (CID 11231392) is 7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one.
What is the SMILES notation for 7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The canonical SMILES for 7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one is CC(C)Oc1cccc2c1C(=O)N1CCNCC21.
What is the InChIKey of 7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The InChIKey is OGYGHKGXCTYKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)18-12-5-3-4-10-11-8-15-6-7-16(11)14(17)13(10)12/h3-5,9,11,15H,6-8H2,1-2H3.
What are the key properties of 7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one has a molecular weight of 246.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yloxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one is sourced from PubChem (CID 11231392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).