Carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)

C₅H₈NTm — CID 163755455

About Carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)

Carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+) (PubChem CID 163755455) has the molecular formula C₅H₈NTm and a molecular weight of 251.06 g/mol. Its IUPAC name is carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+).

Molecular Properties

• Compound Name: Carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)
• PubChem CID: 163755455
• Molecular Formula: C₅H₈NTm
• Molecular Weight: 251.06 g/mol
• Exact Mass: 251.00
• IUPAC Name: carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)
• SMILES: [CH3-].[H]/[C-]=N/C(C)=[C-]/[H].[Tm+3]
• InChI: InChI=1S/C4H5N.CH3.Tm/c1-4(2)5-3;;/h1,3H,2H3;1H3;/q-2;-1;+3
• InChIKey: AEHOOEGLBYESLQ-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.06
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)?

The IUPAC name of Carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+) (CID 163755455) is carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+).

What is the SMILES notation for Carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)?

The canonical SMILES for Carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+) is [CH3-].[H]/[C-]=N/C(C)=[C-]/[H].[Tm+3].

What is the InChIKey of Carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)?

The InChIKey is AEHOOEGLBYESLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.CH3.Tm/c1-4(2)5-3;;/h1,3H,2H3;1H3;/q-2;-1;+3.

What are the key properties of Carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+)?

Carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+) has a molecular weight of 251.06 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Carbanide;N-prop-1-en-2-ylmethanimine;thulium(3+) is sourced from PubChem (CID 163755455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163755455 — identifiers, structure, computed properties (public domain)

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