ethyl propanimidate

C5H11NO — CID 11240515

About ethyl propanimidate

ethyl propanimidate (PubChem CID 11240515) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is ethyl propanimidate.

Molecular Properties

• Compound Name: ethyl propanimidate
• PubChem CID: 11240515
• Molecular Formula: C5H11NO
• Molecular Weight: 101.15 g/mol
• Exact Mass: 101.08
• IUPAC Name: ethyl propanimidate
• SMILES: [H]/N=C(\CC)OCC
• InChI: InChI=1S/C5H11NO/c1-3-5(6)7-4-2/h6H,3-4H2,1-2H3/b6-5+
• InChIKey: VBZCVIBBTVSYSO-AATRIKPKSA-N
• XLogP: 1.41
• TPSA: 33.08 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	101.15
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
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 ethyl propanimidate?

The IUPAC name of ethyl propanimidate (CID 11240515) is ethyl propanimidate.

What is the SMILES notation for ethyl propanimidate?

The canonical SMILES for ethyl propanimidate is [H]/N=C(\CC)OCC.

What is the InChIKey of ethyl propanimidate?

The InChIKey is VBZCVIBBTVSYSO-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(6)7-4-2/h6H,3-4H2,1-2H3/b6-5+.

What are the key properties of ethyl propanimidate?

ethyl propanimidate has a molecular weight of 101.15 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl propanimidate is sourced from PubChem (CID 11240515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).