2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide

C11H15NO — CID 130748547

IUPAC2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide
SMILESC#CC(C)(C)NC(=O)C=C1CCC1
InChIInChI=1S/C11H15NO/c1-4-11(2,3)12-10(13)8-9-6-5-7-9/h1,8H,5-7H2,2-3H3,(H,12,13)
InChIKeyTVBVMUGMICVGTA-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.62
Rot. Bonds2

About 2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide

2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide (PubChem CID 130748547) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide
PubChem CID130748547
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide
SMILESC#CC(C)(C)NC(=O)C=C1CCC1
InChIInChI=1S/C11H15NO/c1-4-11(2,3)12-10(13)8-9-6-5-7-9/h1,8H,5-7H2,2-3H3,(H,12,13)
InChIKeyTVBVMUGMICVGTA-UHFFFAOYSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide?
The IUPAC name of 2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide (CID 130748547) is 2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide.
What is the SMILES notation for 2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide?
The canonical SMILES for 2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide is C#CC(C)(C)NC(=O)C=C1CCC1.
What is the InChIKey of 2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide?
The InChIKey is TVBVMUGMICVGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-11(2,3)12-10(13)8-9-6-5-7-9/h1,8H,5-7H2,2-3H3,(H,12,13).
What are the key properties of 2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide?
2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide has a molecular weight of 177.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylidene-N-(2-methylbut-3-yn-2-yl)acetamide is sourced from PubChem (CID 130748547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).