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

C11H11ClN2O — CID 11207650

IUPAC(10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
SMILESO=C1c2c(Cl)cccc2[C@@H]2CNCCN12
InChIInChI=1S/C11H11ClN2O/c12-8-3-1-2-7-9-6-13-4-5-14(9)11(15)10(7)8/h1-3,9,13H,4-6H2/t9-/m0/s1
InChIKeyQFNLHHFCTDZQJU-VIFPVBQESA-N
MW222.67 g/mol
LogP1.44
Rot. Bonds

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

(10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one (PubChem CID 11207650) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is (10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one.

Molecular Properties

Compound Name(10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
PubChem CID11207650
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name(10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
SMILESO=C1c2c(Cl)cccc2[C@@H]2CNCCN12
InChIInChI=1S/C11H11ClN2O/c12-8-3-1-2-7-9-6-13-4-5-14(9)11(15)10(7)8/h1-3,9,13H,4-6H2/t9-/m0/s1
InChIKeyQFNLHHFCTDZQJU-VIFPVBQESA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The IUPAC name of (10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one (CID 11207650) is (10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one.
What is the SMILES notation for (10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The canonical SMILES for (10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one is O=C1c2c(Cl)cccc2[C@@H]2CNCCN12.
What is the InChIKey of (10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The InChIKey is QFNLHHFCTDZQJU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-8-3-1-2-7-9-6-13-4-5-14(9)11(15)10(7)8/h1-3,9,13H,4-6H2/t9-/m0/s1.
What are the key properties of (10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
(10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one has a molecular weight of 222.67 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one is sourced from PubChem (CID 11207650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).