N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide

C9H12N4O2 — CID 170631753

IUPACN-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide
SMILESCC(=O)N[C@H](C#N)Cn1ccn(C)c1=O
InChIInChI=1S/C9H12N4O2/c1-7(14)11-8(5-10)6-13-4-3-12(2)9(13)15/h3-4,8H,6H2,1-2H3,(H,11,14)/t8-/m1/s1
InChIKeyVIHNRJFPTQVJTR-MRVPVSSYSA-N
MW208.22 g/mol
LogP-0.78
Rot. Bonds3

About N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide

N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide (PubChem CID 170631753) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide
PubChem CID170631753
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC NameN-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide
SMILESCC(=O)N[C@H](C#N)Cn1ccn(C)c1=O
InChIInChI=1S/C9H12N4O2/c1-7(14)11-8(5-10)6-13-4-3-12(2)9(13)15/h3-4,8H,6H2,1-2H3,(H,11,14)/t8-/m1/s1
InChIKeyVIHNRJFPTQVJTR-MRVPVSSYSA-N
XLogP-0.78
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(2-oxo-1H-imidazol-3-yl)ethyl]acetamide
CID 170631731
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-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide (CID 170631753) is N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide is CC(=O)N[C@H](C#N)Cn1ccn(C)c1=O.
What is the InChIKey of N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide?
The InChIKey is VIHNRJFPTQVJTR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-7(14)11-8(5-10)6-13-4-3-12(2)9(13)15/h3-4,8H,6H2,1-2H3,(H,11,14)/t8-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide?
N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide has a molecular weight of 208.22 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-2-(3-methyl-2-oxoimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 170631753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).