4-Oxopentanimidamide

C₅H₁₀N₂O — CID 139323270

About 4-Oxopentanimidamide

4-Oxopentanimidamide (PubChem CID 139323270) has the molecular formula C₅H₁₀N₂O and a molecular weight of 114.15 g/mol. Its IUPAC name is 4-oxopentanimidamide.

Molecular Properties

• Compound Name: 4-Oxopentanimidamide
• PubChem CID: 139323270
• Molecular Formula: C₅H₁₀N₂O
• Molecular Weight: 114.15 g/mol
• Exact Mass: 114.08
• IUPAC Name: 4-oxopentanimidamide
• SMILES: [H]/N=C(\N)CCC(C)=O
• InChI: InChI=1S/C5H10N2O/c1-4(8)2-3-5(6)7/h2-3H2,1H3,(H3,6,7)
• InChIKey: UNGNQMMRLOJYDI-UHFFFAOYSA-N
• XLogP: 0.29
• TPSA: 66.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	114.15
LogP ≤ 5	0.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-Oxopentanimidamide?

The IUPAC name of 4-Oxopentanimidamide (CID 139323270) is 4-oxopentanimidamide.

What is the SMILES notation for 4-Oxopentanimidamide?

The canonical SMILES for 4-Oxopentanimidamide is [H]/N=C(\N)CCC(C)=O.

What is the InChIKey of 4-Oxopentanimidamide?

The InChIKey is UNGNQMMRLOJYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(8)2-3-5(6)7/h2-3H2,1H3,(H3,6,7).

What are the key properties of 4-Oxopentanimidamide?

4-Oxopentanimidamide has a molecular weight of 114.15 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-Oxopentanimidamide is sourced from PubChem (CID 139323270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139323270 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.