N-but-3-yn-2-yl-2-hydroxy-N-methylacetamide

C7H11NO2 — CID 12874674

IUPACN-but-3-yn-2-yl-2-hydroxy-N-methylacetamide
SMILESC#CC(C)N(C)C(=O)CO
InChIInChI=1S/C7H11NO2/c1-4-6(2)8(3)7(10)5-9/h1,6,9H,5H2,2-3H3
InChIKeyIUVAIYMLPQJITA-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.54
Rot. Bonds2

About N-but-3-yn-2-yl-2-hydroxy-N-methylacetamide

N-but-3-yn-2-yl-2-hydroxy-N-methylacetamide (PubChem CID 12874674) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-hydroxy-N-methylacetamide
PubChem CID12874674
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-but-3-yn-2-yl-2-hydroxy-N-methylacetamide
SMILESC#CC(C)N(C)C(=O)CO
InChIInChI=1S/C7H11NO2/c1-4-6(2)8(3)7(10)5-9/h1,6,9H,5H2,2-3H3
InChIKeyIUVAIYMLPQJITA-UHFFFAOYSA-N
XLogP-0.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-hydroxy-N-methylacetamide?
The IUPAC name of N-but-3-yn-2-yl-2-hydroxy-N-methylacetamide (CID 12874674) is N-but-3-yn-2-yl-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-but-3-yn-2-yl-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-but-3-yn-2-yl-2-hydroxy-N-methylacetamide is C#CC(C)N(C)C(=O)CO.
What is the InChIKey of N-but-3-yn-2-yl-2-hydroxy-N-methylacetamide?
The InChIKey is IUVAIYMLPQJITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-6(2)8(3)7(10)5-9/h1,6,9H,5H2,2-3H3.
What are the key properties of N-but-3-yn-2-yl-2-hydroxy-N-methylacetamide?
N-but-3-yn-2-yl-2-hydroxy-N-methylacetamide has a molecular weight of 141.17 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 12874674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).