N-methyl-2-oxo-1H-imidazole-3-carboxamide

C5H7N3O2 — CID 21453092

IUPACN-methyl-2-oxo-1H-imidazole-3-carboxamide
SMILESCNC(=O)n1cc[nH]c1=O
InChIInChI=1S/C5H7N3O2/c1-6-4(9)8-3-2-7-5(8)10/h2-3H,1H3,(H,6,9)(H,7,10)
InChIKeyFETXFBQKWXPHHC-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.64
Rot. Bonds

About N-methyl-2-oxo-1H-imidazole-3-carboxamide

N-methyl-2-oxo-1H-imidazole-3-carboxamide (PubChem CID 21453092) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is N-methyl-2-oxo-1H-imidazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-1H-imidazole-3-carboxamide
PubChem CID21453092
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC NameN-methyl-2-oxo-1H-imidazole-3-carboxamide
SMILESCNC(=O)n1cc[nH]c1=O
InChIInChI=1S/C5H7N3O2/c1-6-4(9)8-3-2-7-5(8)10/h2-3H,1H3,(H,6,9)(H,7,10)
InChIKeyFETXFBQKWXPHHC-UHFFFAOYSA-N
XLogP-0.64
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-1H-imidazole-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-1H-imidazole-3-carboxamide (CID 21453092) is N-methyl-2-oxo-1H-imidazole-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-1H-imidazole-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-1H-imidazole-3-carboxamide is CNC(=O)n1cc[nH]c1=O.
What is the InChIKey of N-methyl-2-oxo-1H-imidazole-3-carboxamide?
The InChIKey is FETXFBQKWXPHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-6-4(9)8-3-2-7-5(8)10/h2-3H,1H3,(H,6,9)(H,7,10).
What are the key properties of N-methyl-2-oxo-1H-imidazole-3-carboxamide?
N-methyl-2-oxo-1H-imidazole-3-carboxamide has a molecular weight of 141.13 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-1H-imidazole-3-carboxamide is sourced from PubChem (CID 21453092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).