3-oxo-N-(2-oxocyclohexyl)pentanamide

C₁₁H₁₇NO₃ — CID 155543620

About 3-oxo-N-(2-oxocyclohexyl)pentanamide

3-oxo-N-(2-oxocyclohexyl)pentanamide (PubChem CID 155543620) has the molecular formula C₁₁H₁₇NO₃ and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-oxo-N-(2-oxocyclohexyl)pentanamide.

Molecular Properties

• Compound Name: 3-oxo-N-(2-oxocyclohexyl)pentanamide
• PubChem CID: 155543620
• Molecular Formula: C₁₁H₁₇NO₃
• Molecular Weight: 211.26 g/mol
• Exact Mass: 211.12
• IUPAC Name: 3-oxo-N-(2-oxocyclohexyl)pentanamide
• SMILES: CCC(=O)CC(=O)NC1CCCCC1=O
• InChI: InChI=1S/C11H17NO3/c1-2-8(13)7-11(15)12-9-5-3-4-6-10(9)14/h9H,2-7H2,1H3,(H,12,15)
• InChIKey: QQKGNWGJDKDESC-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 63.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	211.26
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-oxocyclohexyl)pentanamide?

The IUPAC name of 3-oxo-N-(2-oxocyclohexyl)pentanamide (CID 155543620) is 3-oxo-N-(2-oxocyclohexyl)pentanamide.

What is the SMILES notation for 3-oxo-N-(2-oxocyclohexyl)pentanamide?

The canonical SMILES for 3-oxo-N-(2-oxocyclohexyl)pentanamide is CCC(=O)CC(=O)NC1CCCCC1=O.

What is the InChIKey of 3-oxo-N-(2-oxocyclohexyl)pentanamide?

The InChIKey is QQKGNWGJDKDESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-8(13)7-11(15)12-9-5-3-4-6-10(9)14/h9H,2-7H2,1H3,(H,12,15).

What are the key properties of 3-oxo-N-(2-oxocyclohexyl)pentanamide?

3-oxo-N-(2-oxocyclohexyl)pentanamide has a molecular weight of 211.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-oxo-N-(2-oxocyclohexyl)pentanamide is sourced from PubChem (CID 155543620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155543620 — identifiers, structure, computed properties (public domain)

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