(2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one

C21H18N2O4 — CID 68855224

About (2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one

(2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one (PubChem CID 68855224) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is (2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one.

Molecular Properties

• Compound Name: (2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one
• PubChem CID: 68855224
• Molecular Formula: C21H18N2O4
• Molecular Weight: 362.39 g/mol
• Exact Mass: 362.13
• IUPAC Name: (2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one
• SMILES: COc1ccc2c(c1)c(/C=C1\Oc3cc(O)ccc3C1=O)c1n2CCNC1
• InChI: InChI=1S/C21H18N2O4/c1-26-13-3-5-17-15(9-13)16(18-11-22-6-7-23(17)18)10-20-21(25)14-4-2-12(24)8-19(14)27-20/h2-5,8-10,22,24H,6-7,11H2,1H3/b20-10-
• InChIKey: GGGYZCZYYQALBE-JMIUGGIZSA-N
• XLogP: 3.07
• TPSA: 72.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.39
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one?

The IUPAC name of (2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one (CID 68855224) is (2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one.

What is the SMILES notation for (2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one?

The canonical SMILES for (2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one is COc1ccc2c(c1)c(/C=C1\Oc3cc(O)ccc3C1=O)c1n2CCNC1.

What is the InChIKey of (2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one?

The InChIKey is GGGYZCZYYQALBE-JMIUGGIZSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-26-13-3-5-17-15(9-13)16(18-11-22-6-7-23(17)18)10-20-21(25)14-4-2-12(24)8-19(14)27-20/h2-5,8-10,22,24H,6-7,11H2,1H3/b20-10-.

What are the key properties of (2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one?

(2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one has a molecular weight of 362.39 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 68855224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).