3-morpholin-4-ylimidazole-4-carbaldehyde

C8H11N3O2 — CID 83024161

IUPAC3-morpholin-4-ylimidazole-4-carbaldehyde
SMILESO=Cc1cncn1N1CCOCC1
InChIInChI=1S/C8H11N3O2/c12-6-8-5-9-7-11(8)10-1-3-13-4-2-10/h5-7H,1-4H2
InChIKeyHJKRYDXIEHHXDP-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.34
Rot. Bonds2

About 3-morpholin-4-ylimidazole-4-carbaldehyde

3-morpholin-4-ylimidazole-4-carbaldehyde (PubChem CID 83024161) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-morpholin-4-ylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-morpholin-4-ylimidazole-4-carbaldehyde
PubChem CID83024161
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name3-morpholin-4-ylimidazole-4-carbaldehyde
SMILESO=Cc1cncn1N1CCOCC1
InChIInChI=1S/C8H11N3O2/c12-6-8-5-9-7-11(8)10-1-3-13-4-2-10/h5-7H,1-4H2
InChIKeyHJKRYDXIEHHXDP-UHFFFAOYSA-N
XLogP-0.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5H,6H,8H-imidazo[2,1-c][1,4]oxazine-3-carbaldehyde
CID 21941411
1-(2-hydroxyethyl)-1H-imidazole-4-carbaldehyde
CID 121602400
6,8-Dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbaldehyde
CID 21941356
3-[2-(2,2,2-Trifluoroethoxy)ethyl]imidazole-4-carbaldehyde
CID 66147840
3-[2-(2,2-Difluoroethoxy)ethyl]imidazole-4-carbaldehyde
CID 105918686
1-[2-(2,2,2-Trifluoroethoxy)ethyl]imidazole-4-carbaldehyde
CID 106716730
1-[2-(Trifluoromethoxy)ethyl]imidazole-4-carbaldehyde
CID 106716795
ethyl (4-formyl-1H-imidazol-1-yl)acetate
CID 23139317
ethyl 2-(4-formyl-1H-imidazol-1-yl)propanoate
CID 53922914
3-(4-Methylmorpholin-2-yl)imidazole-4-carbaldehyde
CID 57088398
(5-Formyl-imidazol-1-yl)-acetic acid methyl ester
CID 57917747
3-(4-Methylimidazol-1-yl)-1,2,4-triazine-6-carbaldehyde
CID 59591241

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylimidazole-4-carbaldehyde?
The IUPAC name of 3-morpholin-4-ylimidazole-4-carbaldehyde (CID 83024161) is 3-morpholin-4-ylimidazole-4-carbaldehyde.
What is the SMILES notation for 3-morpholin-4-ylimidazole-4-carbaldehyde?
The canonical SMILES for 3-morpholin-4-ylimidazole-4-carbaldehyde is O=Cc1cncn1N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylimidazole-4-carbaldehyde?
The InChIKey is HJKRYDXIEHHXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-6-8-5-9-7-11(8)10-1-3-13-4-2-10/h5-7H,1-4H2.
What are the key properties of 3-morpholin-4-ylimidazole-4-carbaldehyde?
3-morpholin-4-ylimidazole-4-carbaldehyde has a molecular weight of 181.20 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylimidazole-4-carbaldehyde is sourced from PubChem (CID 83024161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).