N-cyclobutyl-N-ethylbut-2-ynamide

C10H15NO — CID 130634286

IUPACN-cyclobutyl-N-ethylbut-2-ynamide
SMILESCC#CC(=O)N(CC)C1CCC1
InChIInChI=1S/C10H15NO/c1-3-6-10(12)11(4-2)9-7-5-8-9/h9H,4-5,7-8H2,1-2H3
InChIKeyQQSRHJAIVVKIPM-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.41
Rot. Bonds2

About N-cyclobutyl-N-ethylbut-2-ynamide

N-cyclobutyl-N-ethylbut-2-ynamide (PubChem CID 130634286) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-cyclobutyl-N-ethylbut-2-ynamide.

Molecular Properties

Compound NameN-cyclobutyl-N-ethylbut-2-ynamide
PubChem CID130634286
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-cyclobutyl-N-ethylbut-2-ynamide
SMILESCC#CC(=O)N(CC)C1CCC1
InChIInChI=1S/C10H15NO/c1-3-6-10(12)11(4-2)9-7-5-8-9/h9H,4-5,7-8H2,1-2H3
InChIKeyQQSRHJAIVVKIPM-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-ethylbut-2-ynamide?
The IUPAC name of N-cyclobutyl-N-ethylbut-2-ynamide (CID 130634286) is N-cyclobutyl-N-ethylbut-2-ynamide.
What is the SMILES notation for N-cyclobutyl-N-ethylbut-2-ynamide?
The canonical SMILES for N-cyclobutyl-N-ethylbut-2-ynamide is CC#CC(=O)N(CC)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-ethylbut-2-ynamide?
The InChIKey is QQSRHJAIVVKIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-6-10(12)11(4-2)9-7-5-8-9/h9H,4-5,7-8H2,1-2H3.
What are the key properties of N-cyclobutyl-N-ethylbut-2-ynamide?
N-cyclobutyl-N-ethylbut-2-ynamide has a molecular weight of 165.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-ethylbut-2-ynamide is sourced from PubChem (CID 130634286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).