4-(2-methyl-1H-imidazol-5-yl)but-3-enamide

C8H11N3O — CID 170797295

IUPAC4-(2-methyl-1H-imidazol-5-yl)but-3-enamide
SMILESCc1ncc(C=CCC(N)=O)[nH]1
InChIInChI=1S/C8H11N3O/c1-6-10-5-7(11-6)3-2-4-8(9)12/h2-3,5H,4H2,1H3,(H2,9,12)(H,10,11)
InChIKeyBYTRSZMZRKQUPQ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.61
Rot. Bonds3

About 4-(2-methyl-1H-imidazol-5-yl)but-3-enamide

4-(2-methyl-1H-imidazol-5-yl)but-3-enamide (PubChem CID 170797295) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-(2-methyl-1H-imidazol-5-yl)but-3-enamide.

Molecular Properties

Compound Name4-(2-methyl-1H-imidazol-5-yl)but-3-enamide
PubChem CID170797295
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-(2-methyl-1H-imidazol-5-yl)but-3-enamide
SMILESCc1ncc(C=CCC(N)=O)[nH]1
InChIInChI=1S/C8H11N3O/c1-6-10-5-7(11-6)3-2-4-8(9)12/h2-3,5H,4H2,1H3,(H2,9,12)(H,10,11)
InChIKeyBYTRSZMZRKQUPQ-UHFFFAOYSA-N
XLogP0.61
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methyl-1H-imidazol-5-yl)but-3-enoic acid
CID 170483000
sodium;hydride;(E)-3-(2-methyl-1H-imidazol-5-yl)prop-2-enoic acid
CID 173223140
4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide
CID 170797592
7-(2-methyl-1H-imidazol-5-yl)heptanamide
CID 173264947
4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide
CID 170797688
2,5-dimethyl-1H-imidazole;urea
CID 172859252
4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 170797595
4-(6-methylpyrazin-2-yl)but-3-enamide
CID 170797338
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
4-(4-amino-2,5-dimethylphenyl)but-3-enamide
CID 170797935
4-(6-chloro-3-pyridinyl)but-3-enamide
CID 170797349
4-(5-bromopyrazin-2-yl)but-3-enamide
CID 170798931

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-imidazol-5-yl)but-3-enamide?
The IUPAC name of 4-(2-methyl-1H-imidazol-5-yl)but-3-enamide (CID 170797295) is 4-(2-methyl-1H-imidazol-5-yl)but-3-enamide.
What is the SMILES notation for 4-(2-methyl-1H-imidazol-5-yl)but-3-enamide?
The canonical SMILES for 4-(2-methyl-1H-imidazol-5-yl)but-3-enamide is Cc1ncc(C=CCC(N)=O)[nH]1.
What is the InChIKey of 4-(2-methyl-1H-imidazol-5-yl)but-3-enamide?
The InChIKey is BYTRSZMZRKQUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-10-5-7(11-6)3-2-4-8(9)12/h2-3,5H,4H2,1H3,(H2,9,12)(H,10,11).
What are the key properties of 4-(2-methyl-1H-imidazol-5-yl)but-3-enamide?
4-(2-methyl-1H-imidazol-5-yl)but-3-enamide has a molecular weight of 165.20 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-imidazol-5-yl)but-3-enamide is sourced from PubChem (CID 170797295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).