N-methyl-2-(2-nitroimidazol-1-yl)acetamide

C6H8N4O3 — CID 20667794

IUPACN-methyl-2-(2-nitroimidazol-1-yl)acetamide
SMILESCNC(=O)Cn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C6H8N4O3/c1-7-5(11)4-9-3-2-8-6(9)10(12)13/h2-3H,4H2,1H3,(H,7,11)
InChIKeyUAJUYEHPWLXELM-UHFFFAOYSA-N
MW184.16 g/mol
LogP-0.46
Rot. Bonds3

About N-methyl-2-(2-nitroimidazol-1-yl)acetamide

N-methyl-2-(2-nitroimidazol-1-yl)acetamide (PubChem CID 20667794) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is N-methyl-2-(2-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-nitroimidazol-1-yl)acetamide
PubChem CID20667794
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC NameN-methyl-2-(2-nitroimidazol-1-yl)acetamide
SMILESCNC(=O)Cn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C6H8N4O3/c1-7-5(11)4-9-3-2-8-6(9)10(12)13/h2-3H,4H2,1H3,(H,7,11)
InChIKeyUAJUYEHPWLXELM-UHFFFAOYSA-N
XLogP-0.46
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-methyl-2-(2-nitroimidazol-1-yl)acetamide (CID 20667794) is N-methyl-2-(2-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(2-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(2-nitroimidazol-1-yl)acetamide is CNC(=O)Cn1ccnc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-(2-nitroimidazol-1-yl)acetamide?
The InChIKey is UAJUYEHPWLXELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-7-5(11)4-9-3-2-8-6(9)10(12)13/h2-3H,4H2,1H3,(H,7,11).
What are the key properties of N-methyl-2-(2-nitroimidazol-1-yl)acetamide?
N-methyl-2-(2-nitroimidazol-1-yl)acetamide has a molecular weight of 184.16 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 20667794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).