2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde

C9H13N3O2 — CID 91179200

IUPAC2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde
SMILESO=CC(N1CCOCC1)n1ccnc1
InChIInChI=1S/C9H13N3O2/c13-7-9(12-2-1-10-8-12)11-3-5-14-6-4-11/h1-2,7-9H,3-6H2
InChIKeyWOFWCTBBJDXVKW-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.09
Rot. Bonds3

About 2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde

2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde (PubChem CID 91179200) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde.

Molecular Properties

Compound Name2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde
PubChem CID91179200
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde
SMILESO=CC(N1CCOCC1)n1ccnc1
InChIInChI=1S/C9H13N3O2/c13-7-9(12-2-1-10-8-12)11-3-5-14-6-4-11/h1-2,7-9H,3-6H2
InChIKeyWOFWCTBBJDXVKW-UHFFFAOYSA-N
XLogP-0.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
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-imidazol-1-yl-2-morpholin-4-ylacetaldehyde?
The IUPAC name of 2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde (CID 91179200) is 2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde.
What is the SMILES notation for 2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde?
The canonical SMILES for 2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde is O=CC(N1CCOCC1)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde?
The InChIKey is WOFWCTBBJDXVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-7-9(12-2-1-10-8-12)11-3-5-14-6-4-11/h1-2,7-9H,3-6H2.
What are the key properties of 2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde?
2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde has a molecular weight of 195.22 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde is sourced from PubChem (CID 91179200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).