(3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one

C₂₀H₁₅ClN₄O — CID 162395350

About (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one

(3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 162395350) has the molecular formula C₂₀H₁₅ClN₄O and a molecular weight of 362.82 g/mol. Its IUPAC name is (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

• Compound Name: (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
• PubChem CID: 162395350
• Molecular Formula: C₂₀H₁₅ClN₄O
• Molecular Weight: 362.82 g/mol
• Exact Mass: 362.09
• IUPAC Name: (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
• SMILES: C=CCn1cc(/C=N\N=C2\C(=O)Nc3ccc(Cl)cc32)c2ccccc21
• InChI: InChI=1S/C20H15ClN4O/c1-2-9-25-12-13(15-5-3-4-6-18(15)25)11-22-24-19-16-10-14(21)7-8-17(16)23-20(19)26/h2-8,10-12H,1,9H2,(H,23,24,26)/b22-11-
• InChIKey: OJKLWRGJHWHCJR-JJFYIABZSA-N
• XLogP: 4.26
• TPSA: 58.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.82
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one?

The IUPAC name of (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one (CID 162395350) is (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one.

What is the SMILES notation for (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one?

The canonical SMILES for (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one is C=CCn1cc(/C=N\N=C2\C(=O)Nc3ccc(Cl)cc32)c2ccccc21.

What is the InChIKey of (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one?

The InChIKey is OJKLWRGJHWHCJR-JJFYIABZSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-2-9-25-12-13(15-5-3-4-6-18(15)25)11-22-24-19-16-10-14(21)7-8-17(16)23-20(19)26/h2-8,10-12H,1,9H2,(H,23,24,26)/b22-11-.

What are the key properties of (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one?

(3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 362.82 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 162395350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162395350 — identifiers, structure, computed properties (public domain)

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