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

C11H15N3O3 — CID 106716532

IUPAC2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide
SMILESO=Cc1cn(CC(=O)NC2CCOCC2)cn1
InChIInChI=1S/C11H15N3O3/c15-7-10-5-14(8-12-10)6-11(16)13-9-1-3-17-4-2-9/h5,7-9H,1-4,6H2,(H,13,16)
InChIKeyAEZJWNSBXNYPGH-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.01
Rot. Bonds4

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

2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide (PubChem CID 106716532) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide
PubChem CID106716532
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide
SMILESO=Cc1cn(CC(=O)NC2CCOCC2)cn1
InChIInChI=1S/C11H15N3O3/c15-7-10-5-14(8-12-10)6-11(16)13-9-1-3-17-4-2-9/h5,7-9H,1-4,6H2,(H,13,16)
InChIKeyAEZJWNSBXNYPGH-UHFFFAOYSA-N
XLogP-0.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide (CID 106716532) is 2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide is O=Cc1cn(CC(=O)NC2CCOCC2)cn1.
What is the InChIKey of 2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is AEZJWNSBXNYPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-7-10-5-14(8-12-10)6-11(16)13-9-1-3-17-4-2-9/h5,7-9H,1-4,6H2,(H,13,16).
What are the key properties of 2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide?
2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 237.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 106716532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).