2-[methyl(oxolan-3-yl)amino]acetaldehyde

C₇H₁₃NO₂ — CID 82742163

About 2-[methyl(oxolan-3-yl)amino]acetaldehyde

2-[methyl(oxolan-3-yl)amino]acetaldehyde (PubChem CID 82742163) has the molecular formula C₇H₁₃NO₂ and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-[methyl(oxolan-3-yl)amino]acetaldehyde.

Molecular Properties

• Compound Name: 2-[methyl(oxolan-3-yl)amino]acetaldehyde
• PubChem CID: 82742163
• Molecular Formula: C₇H₁₃NO₂
• Molecular Weight: 143.19 g/mol
• Exact Mass: 143.09
• IUPAC Name: 2-[methyl(oxolan-3-yl)amino]acetaldehyde
• SMILES: CN(CC=O)C1CCOC1
• InChI: InChI=1S/C7H13NO2/c1-8(3-4-9)7-2-5-10-6-7/h4,7H,2-3,5-6H2,1H3
• InChIKey: LWMONIRDVKHIKM-UHFFFAOYSA-N
• XLogP: -0.09
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	143.19
LogP ≤ 5	-0.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-3-yl)amino]acetaldehyde?

The IUPAC name of 2-[methyl(oxolan-3-yl)amino]acetaldehyde (CID 82742163) is 2-[methyl(oxolan-3-yl)amino]acetaldehyde.

What is the SMILES notation for 2-[methyl(oxolan-3-yl)amino]acetaldehyde?

The canonical SMILES for 2-[methyl(oxolan-3-yl)amino]acetaldehyde is CN(CC=O)C1CCOC1.

What is the InChIKey of 2-[methyl(oxolan-3-yl)amino]acetaldehyde?

The InChIKey is LWMONIRDVKHIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8(3-4-9)7-2-5-10-6-7/h4,7H,2-3,5-6H2,1H3.

What are the key properties of 2-[methyl(oxolan-3-yl)amino]acetaldehyde?

2-[methyl(oxolan-3-yl)amino]acetaldehyde has a molecular weight of 143.19 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl(oxolan-3-yl)amino]acetaldehyde is sourced from PubChem (CID 82742163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 82742163 — identifiers, structure, computed properties (public domain)

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