2-(2-formylimidazol-1-yl)-N-methylacetamide

C7H9N3O2 — CID 62222272

IUPAC2-(2-formylimidazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1ccnc1C=O
InChIInChI=1S/C7H9N3O2/c1-8-7(12)4-10-3-2-9-6(10)5-11/h2-3,5H,4H2,1H3,(H,8,12)
InChIKeyOSLRMEUUYJQCLF-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.56
Rot. Bonds3

About 2-(2-formylimidazol-1-yl)-N-methylacetamide

2-(2-formylimidazol-1-yl)-N-methylacetamide (PubChem CID 62222272) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-(2-formylimidazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-formylimidazol-1-yl)-N-methylacetamide
PubChem CID62222272
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-(2-formylimidazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1ccnc1C=O
InChIInChI=1S/C7H9N3O2/c1-8-7(12)4-10-3-2-9-6(10)5-11/h2-3,5H,4H2,1H3,(H,8,12)
InChIKeyOSLRMEUUYJQCLF-UHFFFAOYSA-N
XLogP-0.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-formylimidazol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(2-formylimidazol-1-yl)-N-methylacetamide (CID 62222272) is 2-(2-formylimidazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2-formylimidazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(2-formylimidazol-1-yl)-N-methylacetamide is CNC(=O)Cn1ccnc1C=O.
What is the InChIKey of 2-(2-formylimidazol-1-yl)-N-methylacetamide?
The InChIKey is OSLRMEUUYJQCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-8-7(12)4-10-3-2-9-6(10)5-11/h2-3,5H,4H2,1H3,(H,8,12).
What are the key properties of 2-(2-formylimidazol-1-yl)-N-methylacetamide?
2-(2-formylimidazol-1-yl)-N-methylacetamide has a molecular weight of 167.17 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylimidazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 62222272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).