(10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one

C11H10Cl2N2O — CID 11737939

IUPAC(10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
SMILESO=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12
InChIInChI=1S/C11H10Cl2N2O/c12-7-2-1-6-8-5-14-3-4-15(8)11(16)9(6)10(7)13/h1-2,8,14H,3-5H2/t8-/m0/s1
InChIKeyLGWMDPQPQYEPII-QMMMGPOBSA-N
MW257.12 g/mol
LogP2.09
Rot. Bonds

About (10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one

(10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one (PubChem CID 11737939) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is (10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one.

Molecular Properties

Compound Name(10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
PubChem CID11737939
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name(10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
SMILESO=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12
InChIInChI=1S/C11H10Cl2N2O/c12-7-2-1-6-8-5-14-3-4-15(8)11(16)9(6)10(7)13/h1-2,8,14H,3-5H2/t8-/m0/s1
InChIKeyLGWMDPQPQYEPII-QMMMGPOBSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The IUPAC name of (10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one (CID 11737939) is (10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one.
What is the SMILES notation for (10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The canonical SMILES for (10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one is O=C1c2c(ccc(Cl)c2Cl)[C@@H]2CNCCN12.
What is the InChIKey of (10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The InChIKey is LGWMDPQPQYEPII-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-7-2-1-6-8-5-14-3-4-15(8)11(16)9(6)10(7)13/h1-2,8,14H,3-5H2/t8-/m0/s1.
What are the key properties of (10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
(10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one has a molecular weight of 257.12 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one is sourced from PubChem (CID 11737939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).