N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide

C8H10N4O2 — CID 170631698

IUPACN-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide
SMILESCC(=O)NC(C#N)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H10N4O2/c1-5(13)11-6(3-9)2-7-4-10-8(14)12-7/h4,6H,2H2,1H3,(H,11,13)(H2,10,12,14)
InChIKeyUZZDTSXQYVBWAQ-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.73
Rot. Bonds3

About N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide

N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide (PubChem CID 170631698) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide
PubChem CID170631698
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC NameN-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide
SMILESCC(=O)NC(C#N)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H10N4O2/c1-5(13)11-6(3-9)2-7-4-10-8(14)12-7/h4,6H,2H2,1H3,(H,11,13)(H2,10,12,14)
InChIKeyUZZDTSXQYVBWAQ-UHFFFAOYSA-N
XLogP-0.73
TPSA101.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propan-2-ylacetamide
CID 23629710
N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629712
N-butan-2-yl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629714
N-[2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide
CID 53798386
N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide
CID 170631537
2-(Methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile
CID 170631752

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide?
The IUPAC name of N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide (CID 170631698) is N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide is CC(=O)NC(C#N)Cc1c[nH]c(=O)[nH]1.
What is the InChIKey of N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide?
The InChIKey is UZZDTSXQYVBWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-5(13)11-6(3-9)2-7-4-10-8(14)12-7/h4,6H,2H2,1H3,(H,11,13)(H2,10,12,14).
What are the key properties of N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide?
N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide has a molecular weight of 194.19 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 170631698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).