N-[(Z)-but-2-enyl]oxane-4-carboxamide

C₁₀H₁₇NO₂ — CID 138605594

About N-[(Z)-but-2-enyl]oxane-4-carboxamide

N-[(Z)-but-2-enyl]oxane-4-carboxamide (PubChem CID 138605594) has the molecular formula C₁₀H₁₇NO₂ and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(Z)-but-2-enyl]oxane-4-carboxamide.

Molecular Properties

• Compound Name: N-[(Z)-but-2-enyl]oxane-4-carboxamide
• PubChem CID: 138605594
• Molecular Formula: C₁₀H₁₇NO₂
• Molecular Weight: 183.25 g/mol
• Exact Mass: 183.13
• IUPAC Name: N-[(Z)-but-2-enyl]oxane-4-carboxamide
• SMILES: C/C=C\CNC(=O)C1CCOCC1
• InChI: InChI=1S/C10H17NO2/c1-2-3-6-11-10(12)9-4-7-13-8-5-9/h2-3,9H,4-8H2,1H3,(H,11,12)/b3-2-
• InChIKey: GEQKTEMLFRFBMS-IHWYPQMZSA-N
• XLogP: 1.11
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.25
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-enyl]oxane-4-carboxamide?

The IUPAC name of N-[(Z)-but-2-enyl]oxane-4-carboxamide (CID 138605594) is N-[(Z)-but-2-enyl]oxane-4-carboxamide.

What is the SMILES notation for N-[(Z)-but-2-enyl]oxane-4-carboxamide?

The canonical SMILES for N-[(Z)-but-2-enyl]oxane-4-carboxamide is C/C=C\CNC(=O)C1CCOCC1.

What is the InChIKey of N-[(Z)-but-2-enyl]oxane-4-carboxamide?

The InChIKey is GEQKTEMLFRFBMS-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-6-11-10(12)9-4-7-13-8-5-9/h2-3,9H,4-8H2,1H3,(H,11,12)/b3-2-.

What are the key properties of N-[(Z)-but-2-enyl]oxane-4-carboxamide?

N-[(Z)-but-2-enyl]oxane-4-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-but-2-enyl]oxane-4-carboxamide is sourced from PubChem (CID 138605594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 138605594 — identifiers, structure, computed properties (public domain)

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