N-ethyl-2-(4-formylimidazol-1-yl)acetamide

C8H11N3O2 — CID 106716614

IUPACN-ethyl-2-(4-formylimidazol-1-yl)acetamide
SMILESCCNC(=O)Cn1cnc(C=O)c1
InChIInChI=1S/C8H11N3O2/c1-2-9-8(13)4-11-3-7(5-12)10-6-11/h3,5-6H,2,4H2,1H3,(H,9,13)
InChIKeyGIPRXZGLIMBZNV-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.17
Rot. Bonds4

About N-ethyl-2-(4-formylimidazol-1-yl)acetamide

N-ethyl-2-(4-formylimidazol-1-yl)acetamide (PubChem CID 106716614) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-ethyl-2-(4-formylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-formylimidazol-1-yl)acetamide
PubChem CID106716614
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-ethyl-2-(4-formylimidazol-1-yl)acetamide
SMILESCCNC(=O)Cn1cnc(C=O)c1
InChIInChI=1S/C8H11N3O2/c1-2-9-8(13)4-11-3-7(5-12)10-6-11/h3,5-6H,2,4H2,1H3,(H,9,13)
InChIKeyGIPRXZGLIMBZNV-UHFFFAOYSA-N
XLogP-0.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.17
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 N-ethyl-2-(4-formylimidazol-1-yl)acetamide?
The IUPAC name of N-ethyl-2-(4-formylimidazol-1-yl)acetamide (CID 106716614) is N-ethyl-2-(4-formylimidazol-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-formylimidazol-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-(4-formylimidazol-1-yl)acetamide is CCNC(=O)Cn1cnc(C=O)c1.
What is the InChIKey of N-ethyl-2-(4-formylimidazol-1-yl)acetamide?
The InChIKey is GIPRXZGLIMBZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-9-8(13)4-11-3-7(5-12)10-6-11/h3,5-6H,2,4H2,1H3,(H,9,13).
What are the key properties of N-ethyl-2-(4-formylimidazol-1-yl)acetamide?
N-ethyl-2-(4-formylimidazol-1-yl)acetamide has a molecular weight of 181.19 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-formylimidazol-1-yl)acetamide is sourced from PubChem (CID 106716614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).