Prop-1-ene;N-prop-1-en-2-ylmethanimine

C₇H₁₃N — CID 143854713

About Prop-1-ene;N-prop-1-en-2-ylmethanimine

Prop-1-ene;N-prop-1-en-2-ylmethanimine (PubChem CID 143854713) has the molecular formula C₇H₁₃N and a molecular weight of 111.19 g/mol. Its IUPAC name is prop-1-ene;N-prop-1-en-2-ylmethanimine.

Molecular Properties

• Compound Name: Prop-1-ene;N-prop-1-en-2-ylmethanimine
• PubChem CID: 143854713
• Molecular Formula: C₇H₁₃N
• Molecular Weight: 111.19 g/mol
• Exact Mass: 111.10
• IUPAC Name: prop-1-ene;N-prop-1-en-2-ylmethanimine
• SMILES: C=CC.C=NC(=C)C
• InChI: InChI=1S/C4H7N.C3H6/c1-4(2)5-3;1-3-2/h1,3H2,2H3;3H,1H2,2H3
• InChIKey: QQGIJVDWMYYEJZ-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	111.19
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Prop-1-ene;N-prop-1-en-2-ylmethanimine?

The IUPAC name of Prop-1-ene;N-prop-1-en-2-ylmethanimine (CID 143854713) is prop-1-ene;N-prop-1-en-2-ylmethanimine.

What is the SMILES notation for Prop-1-ene;N-prop-1-en-2-ylmethanimine?

The canonical SMILES for Prop-1-ene;N-prop-1-en-2-ylmethanimine is C=CC.C=NC(=C)C.

What is the InChIKey of Prop-1-ene;N-prop-1-en-2-ylmethanimine?

The InChIKey is QQGIJVDWMYYEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.C3H6/c1-4(2)5-3;1-3-2/h1,3H2,2H3;3H,1H2,2H3.

What are the key properties of Prop-1-ene;N-prop-1-en-2-ylmethanimine?

Prop-1-ene;N-prop-1-en-2-ylmethanimine has a molecular weight of 111.19 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Prop-1-ene;N-prop-1-en-2-ylmethanimine is sourced from PubChem (CID 143854713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143854713 — identifiers, structure, computed properties (public domain)

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