N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide

C₁₉H₁₄N₂O₅ — CID 154810863

About N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide

N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide (PubChem CID 154810863) has the molecular formula C₁₉H₁₄N₂O₅ and a molecular weight of 350.33 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
• PubChem CID: 154810863
• Molecular Formula: C₁₉H₁₄N₂O₅
• Molecular Weight: 350.33 g/mol
• Exact Mass: 350.09
• IUPAC Name: N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
• SMILES: O=C1CCC(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)C(=O)N1
• InChI: InChI=1S/C19H14N2O5/c22-16-8-6-14(18(24)21-16)20-17(23)13-9-12-11-4-2-1-3-10(11)5-7-15(12)26-19(13)25/h1-5,7,9,14H,6,8H2,(H,20,23)(H,21,22,24)
• InChIKey: AFEZZXHOTHCTAN-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 105.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.33
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide?

The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide (CID 154810863) is N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide.

What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide?

The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide is O=C1CCC(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)C(=O)N1.

What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide?

The InChIKey is AFEZZXHOTHCTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c22-16-8-6-14(18(24)21-16)20-17(23)13-9-12-11-4-2-1-3-10(11)5-7-15(12)26-19(13)25/h1-5,7,9,14H,6,8H2,(H,20,23)(H,21,22,24).

What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide?

N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 154810863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154810863 — identifiers, structure, computed properties (public domain)

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