N-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide

C10H13N3O — CID 89281834

IUPACN-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide
SMILESCC#CCNC(=O)Cc1cn(C)cn1
InChIInChI=1S/C10H13N3O/c1-3-4-5-11-10(14)6-9-7-13(2)8-12-9/h7-8H,5-6H2,1-2H3,(H,11,14)
InChIKeyNYMSLIRYBYJSOM-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.10
Rot. Bonds3

About N-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide

N-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide (PubChem CID 89281834) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide
PubChem CID89281834
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide
SMILESCC#CCNC(=O)Cc1cn(C)cn1
InChIInChI=1S/C10H13N3O/c1-3-4-5-11-10(14)6-9-7-13(2)8-12-9/h7-8H,5-6H2,1-2H3,(H,11,14)
InChIKeyNYMSLIRYBYJSOM-UHFFFAOYSA-N
XLogP0.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-2-ynyl-2-(1-methylimidazol-4-yl)acetamide?
The IUPAC name of N-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide (CID 89281834) is N-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide.
What is the SMILES notation for N-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide?
The canonical SMILES for N-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide is CC#CCNC(=O)Cc1cn(C)cn1.
What is the InChIKey of N-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide?
The InChIKey is NYMSLIRYBYJSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-4-5-11-10(14)6-9-7-13(2)8-12-9/h7-8H,5-6H2,1-2H3,(H,11,14).
What are the key properties of N-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide?
N-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide has a molecular weight of 191.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-2-(1-methylimidazol-4-yl)acetamide is sourced from PubChem (CID 89281834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).