3-(5-formylimidazol-1-yl)-N-methylpropanamide

C8H11N3O2 — CID 66146791

IUPAC3-(5-formylimidazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cncc1C=O
InChIInChI=1S/C8H11N3O2/c1-9-8(13)2-3-11-6-10-4-7(11)5-12/h4-6H,2-3H2,1H3,(H,9,13)
InChIKeyRARQBIFEYPUBND-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.17
Rot. Bonds4

About 3-(5-formylimidazol-1-yl)-N-methylpropanamide

3-(5-formylimidazol-1-yl)-N-methylpropanamide (PubChem CID 66146791) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-(5-formylimidazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-formylimidazol-1-yl)-N-methylpropanamide
PubChem CID66146791
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name3-(5-formylimidazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cncc1C=O
InChIInChI=1S/C8H11N3O2/c1-9-8(13)2-3-11-6-10-4-7(11)5-12/h4-6H,2-3H2,1H3,(H,9,13)
InChIKeyRARQBIFEYPUBND-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 ≤ 500181.20
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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Related Compounds

3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150409
3-[5-(chloromethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150216
5-(5-formylimidazol-1-yl)pentanamide
CID 106240891
N-methyl-3-(5-phenylimidazol-1-yl)propanamide
CID 58294227
3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide
CID 114705066
3-(2-pyrrolidin-1-ylethyl)imidazole-4-carbaldehyde
CID 66145744
3-(3-methoxypropyl)imidazole-4-carbaldehyde
CID 66146994
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide
CID 114719199
3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde
CID 66148661
N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide
CID 114708418
3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-methylpropanamide
CID 114719194
3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde
CID 66146790

Frequently Asked Questions

What is the IUPAC name of 3-(5-formylimidazol-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(5-formylimidazol-1-yl)-N-methylpropanamide (CID 66146791) is 3-(5-formylimidazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(5-formylimidazol-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(5-formylimidazol-1-yl)-N-methylpropanamide is CNC(=O)CCn1cncc1C=O.
What is the InChIKey of 3-(5-formylimidazol-1-yl)-N-methylpropanamide?
The InChIKey is RARQBIFEYPUBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-9-8(13)2-3-11-6-10-4-7(11)5-12/h4-6H,2-3H2,1H3,(H,9,13).
What are the key properties of 3-(5-formylimidazol-1-yl)-N-methylpropanamide?
3-(5-formylimidazol-1-yl)-N-methylpropanamide has a molecular weight of 181.20 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 3-(5-formylimidazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 66146791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).