4-(3-methylimidazol-4-yl)but-3-enamide

C8H11N3O — CID 170797294

IUPAC4-(3-methylimidazol-4-yl)but-3-enamide
SMILESCn1cncc1C=CCC(N)=O
InChIInChI=1S/C8H11N3O/c1-11-6-10-5-7(11)3-2-4-8(9)12/h2-3,5-6H,4H2,1H3,(H2,9,12)
InChIKeyYOSYEVHWSUDZMU-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.31
Rot. Bonds3

About 4-(3-methylimidazol-4-yl)but-3-enamide

4-(3-methylimidazol-4-yl)but-3-enamide (PubChem CID 170797294) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-(3-methylimidazol-4-yl)but-3-enamide.

Molecular Properties

Compound Name4-(3-methylimidazol-4-yl)but-3-enamide
PubChem CID170797294
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-(3-methylimidazol-4-yl)but-3-enamide
SMILESCn1cncc1C=CCC(N)=O
InChIInChI=1S/C8H11N3O/c1-11-6-10-5-7(11)3-2-4-8(9)12/h2-3,5-6H,4H2,1H3,(H2,9,12)
InChIKeyYOSYEVHWSUDZMU-UHFFFAOYSA-N
XLogP0.31
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylimidazol-4-yl)but-3-enamide?
The IUPAC name of 4-(3-methylimidazol-4-yl)but-3-enamide (CID 170797294) is 4-(3-methylimidazol-4-yl)but-3-enamide.
What is the SMILES notation for 4-(3-methylimidazol-4-yl)but-3-enamide?
The canonical SMILES for 4-(3-methylimidazol-4-yl)but-3-enamide is Cn1cncc1C=CCC(N)=O.
What is the InChIKey of 4-(3-methylimidazol-4-yl)but-3-enamide?
The InChIKey is YOSYEVHWSUDZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-6-10-5-7(11)3-2-4-8(9)12/h2-3,5-6H,4H2,1H3,(H2,9,12).
What are the key properties of 4-(3-methylimidazol-4-yl)but-3-enamide?
4-(3-methylimidazol-4-yl)but-3-enamide has a molecular weight of 165.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylimidazol-4-yl)but-3-enamide is sourced from PubChem (CID 170797294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).