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

C11H11Cl3N2O — CID 68687590

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

(10bS)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride (PubChem CID 68687590) has the molecular formula C11H11Cl3N2O and a molecular weight of 293.58 g/mol. Its IUPAC name is (10bS)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride.

Molecular Properties

• Compound Name: (10bS)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride
• PubChem CID: 68687590
• Molecular Formula: C11H11Cl3N2O
• Molecular Weight: 293.58 g/mol
• Exact Mass: 291.99
• IUPAC Name: (10bS)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride
• SMILES: Cl.O=C1c2c(ccc(Cl)c2Cl)[C@H]2CNCCN12
• InChI: InChI=1S/C11H10Cl2N2O.ClH/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;1H/t8-;/m1./s1
• InChIKey: YRHSDWBIRCLCJN-DDWIOCJRSA-N
• XLogP: 2.52
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.58
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (10bS)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride?

The IUPAC name of (10bS)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride (CID 68687590) is (10bS)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride.

What is the SMILES notation for (10bS)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride?

The canonical SMILES for (10bS)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride is Cl.O=C1c2c(ccc(Cl)c2Cl)[C@H]2CNCCN12.

What is the InChIKey of (10bS)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride?

The InChIKey is YRHSDWBIRCLCJN-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H10Cl2N2O.ClH/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;1H/t8-;/m1./s1.

What are the key properties of (10bS)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride?

(10bS)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride has a molecular weight of 293.58 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (10bS)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride is sourced from PubChem (CID 68687590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).