N-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide

C8H10N4O2 — CID 170631731

IUPACN-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide
SMILESCC(=O)N[C@H](C#N)Cn1cc[nH]c1=O
InChIInChI=1S/C8H10N4O2/c1-6(13)11-7(4-9)5-12-3-2-10-8(12)14/h2-3,7H,5H2,1H3,(H,10,14)(H,11,13)/t7-/m1/s1
InChIKeyAMUDREKJHFDIAZ-SSDOTTSWSA-N
MW194.19 g/mol
LogP-0.80
Rot. Bonds3

About N-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide

N-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide (PubChem CID 170631731) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide
PubChem CID170631731
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC NameN-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide
SMILESCC(=O)N[C@H](C#N)Cn1cc[nH]c1=O
InChIInChI=1S/C8H10N4O2/c1-6(13)11-7(4-9)5-12-3-2-10-8(12)14/h2-3,7H,5H2,1H3,(H,10,14)(H,11,13)/t7-/m1/s1
InChIKeyAMUDREKJHFDIAZ-SSDOTTSWSA-N
XLogP-0.80
TPSA90.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-aminopropyl(ethenyl)carbamoyl]acetamide
CID 123527300
N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide
CID 170631611
N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide
CID 170631753
CID 44131649
CID 44131649
N-(2-cyanoethyl)-N-methyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
CID 80581129
2-(2-oxo-1H-imidazol-3-yl)-N-propylacetamide
CID 103125250
2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide
CID 103125257
2-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide
CID 103125390
N-ethyl-2-(2-oxo-1H-imidazol-3-yl)propanamide
CID 103125513
2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylpropanamide
CID 103125923
N-cyclopropyl-2-(2-oxo-1H-imidazol-3-yl)propanamide
CID 103125925
N-ethyl-N-methyl-2-(2-oxo-1H-imidazol-3-yl)propanamide
CID 103126105

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide?
The IUPAC name of N-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide (CID 170631731) is N-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide is CC(=O)N[C@H](C#N)Cn1cc[nH]c1=O.
What is the InChIKey of N-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide?
The InChIKey is AMUDREKJHFDIAZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-6(13)11-7(4-9)5-12-3-2-10-8(12)14/h2-3,7H,5H2,1H3,(H,10,14)(H,11,13)/t7-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide?
N-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide has a molecular weight of 194.19 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-2-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 170631731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).