N,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide

C6H9N3O2 — CID 71397974

IUPACN,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide
SMILESCN(C)C(=O)n1cc[nH]c1=O
InChIInChI=1S/C6H9N3O2/c1-8(2)6(11)9-4-3-7-5(9)10/h3-4H,1-2H3,(H,7,10)
InChIKeyXYTVWWVGVUIUAZ-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.29
Rot. Bonds

About N,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide

N,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide (PubChem CID 71397974) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide
PubChem CID71397974
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide
SMILESCN(C)C(=O)n1cc[nH]c1=O
InChIInChI=1S/C6H9N3O2/c1-8(2)6(11)9-4-3-7-5(9)10/h3-4H,1-2H3,(H,7,10)
InChIKeyXYTVWWVGVUIUAZ-UHFFFAOYSA-N
XLogP-0.29
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide (CID 71397974) is N,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide is CN(C)C(=O)n1cc[nH]c1=O.
What is the InChIKey of N,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide?
The InChIKey is XYTVWWVGVUIUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-8(2)6(11)9-4-3-7-5(9)10/h3-4H,1-2H3,(H,7,10).
What are the key properties of N,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide?
N,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide has a molecular weight of 155.16 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxo-1H-imidazole-3-carboxamide is sourced from PubChem (CID 71397974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).