2-Iminopent-3-enal

C₅H₇NO — CID 142606621

About 2-Iminopent-3-enal

2-Iminopent-3-enal (PubChem CID 142606621) has the molecular formula C₅H₇NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 2-iminopent-3-enal.

Molecular Properties

• Compound Name: 2-Iminopent-3-enal
• PubChem CID: 142606621
• Molecular Formula: C₅H₇NO
• Molecular Weight: 97.12 g/mol
• Exact Mass: 97.05
• IUPAC Name: 2-iminopent-3-enal
• SMILES: [H]/N=C(/C=O)C=CC
• InChI: InChI=1S/C5H7NO/c1-2-3-5(6)4-7/h2-4,6H,1H3/b3-2?,6-5+
• InChIKey: XETVXZDDRUJABU-KXYQGZHVSA-N
• XLogP: 0.78
• TPSA: 40.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	97.12
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-Iminopent-3-enal?

The IUPAC name of 2-Iminopent-3-enal (CID 142606621) is 2-iminopent-3-enal.

What is the SMILES notation for 2-Iminopent-3-enal?

The canonical SMILES for 2-Iminopent-3-enal is [H]/N=C(/C=O)C=CC.

What is the InChIKey of 2-Iminopent-3-enal?

The InChIKey is XETVXZDDRUJABU-KXYQGZHVSA-N. The full InChI is InChI=1S/C5H7NO/c1-2-3-5(6)4-7/h2-4,6H,1H3/b3-2?,6-5+.

What are the key properties of 2-Iminopent-3-enal?

2-Iminopent-3-enal has a molecular weight of 97.12 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Iminopent-3-enal is sourced from PubChem (CID 142606621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142606621 — identifiers, structure, computed properties (public domain)

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