N-(2-cyclobutylethyl)but-2-ynamide

C10H15NO — CID 130991314

IUPACN-(2-cyclobutylethyl)but-2-ynamide
SMILESCC#CC(=O)NCCC1CCC1
InChIInChI=1S/C10H15NO/c1-2-4-10(12)11-8-7-9-5-3-6-9/h9H,3,5-8H2,1H3,(H,11,12)
InChIKeyPEPNZBXFBUUAKM-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.32
Rot. Bonds3

About N-(2-cyclobutylethyl)but-2-ynamide

N-(2-cyclobutylethyl)but-2-ynamide (PubChem CID 130991314) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)but-2-ynamide.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)but-2-ynamide
PubChem CID130991314
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-(2-cyclobutylethyl)but-2-ynamide
SMILESCC#CC(=O)NCCC1CCC1
InChIInChI=1S/C10H15NO/c1-2-4-10(12)11-8-7-9-5-3-6-9/h9H,3,5-8H2,1H3,(H,11,12)
InChIKeyPEPNZBXFBUUAKM-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2-cyclobutylethyl)but-2-ynamide?
The IUPAC name of N-(2-cyclobutylethyl)but-2-ynamide (CID 130991314) is N-(2-cyclobutylethyl)but-2-ynamide.
What is the SMILES notation for N-(2-cyclobutylethyl)but-2-ynamide?
The canonical SMILES for N-(2-cyclobutylethyl)but-2-ynamide is CC#CC(=O)NCCC1CCC1.
What is the InChIKey of N-(2-cyclobutylethyl)but-2-ynamide?
The InChIKey is PEPNZBXFBUUAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-4-10(12)11-8-7-9-5-3-6-9/h9H,3,5-8H2,1H3,(H,11,12).
What are the key properties of N-(2-cyclobutylethyl)but-2-ynamide?
N-(2-cyclobutylethyl)but-2-ynamide has a molecular weight of 165.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)but-2-ynamide is sourced from PubChem (CID 130991314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).