N-but-2-en-2-yl-N-methylacetamide

C₇H₁₃NO — CID 123872311

About N-but-2-en-2-yl-N-methylacetamide

N-but-2-en-2-yl-N-methylacetamide (PubChem CID 123872311) has the molecular formula C₇H₁₃NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-but-2-en-2-yl-N-methylacetamide.

Molecular Properties

• Compound Name: N-but-2-en-2-yl-N-methylacetamide
• PubChem CID: 123872311
• Molecular Formula: C₇H₁₃NO
• Molecular Weight: 127.19 g/mol
• Exact Mass: 127.10
• IUPAC Name: N-but-2-en-2-yl-N-methylacetamide
• SMILES: CC=C(C)N(C)C(C)=O
• InChI: InChI=1S/C7H13NO/c1-5-6(2)8(4)7(3)9/h5H,1-4H3
• InChIKey: AXMVQIJXOWOURR-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 20.31 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	127.19
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-N-methylacetamide?

The IUPAC name of N-but-2-en-2-yl-N-methylacetamide (CID 123872311) is N-but-2-en-2-yl-N-methylacetamide.

What is the SMILES notation for N-but-2-en-2-yl-N-methylacetamide?

The canonical SMILES for N-but-2-en-2-yl-N-methylacetamide is CC=C(C)N(C)C(C)=O.

What is the InChIKey of N-but-2-en-2-yl-N-methylacetamide?

The InChIKey is AXMVQIJXOWOURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-6(2)8(4)7(3)9/h5H,1-4H3.

What are the key properties of N-but-2-en-2-yl-N-methylacetamide?

N-but-2-en-2-yl-N-methylacetamide has a molecular weight of 127.19 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-but-2-en-2-yl-N-methylacetamide is sourced from PubChem (CID 123872311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123872311 — identifiers, structure, computed properties (public domain)

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