4-Nitro-hept-3-ene

C7H13NO2 — CID 22444

About 4-Nitro-hept-3-ene

4-Nitro-hept-3-ene (PubChem CID 22444) has the molecular formula C7H13NO2 and a molecular weight of 143.18 g/mol. Its IUPAC name is 4-nitrohept-3-ene.

Molecular Properties

• Compound Name: 4-Nitro-hept-3-ene
• PubChem CID: 22444
• Molecular Formula: C7H13NO2
• Molecular Weight: 143.18 g/mol
• Exact Mass: 143.09
• IUPAC Name: 4-nitrohept-3-ene
• SMILES: CCCC(=CCC)[N+](=O)[O-]
• InChIKey: VCYHLUUGOMPZTB-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 45.80 Ų
• H-Bond Donors: 0
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 10
• Complexity: 135

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	143.18
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}