2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde

C11H17N3O2 — CID 79657119

IUPAC2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde
SMILESCCCN1CCOC(c2ncc(C=O)[nH]2)C1
InChIInChI=1S/C11H17N3O2/c1-2-3-14-4-5-16-10(7-14)11-12-6-9(8-15)13-11/h6,8,10H,2-5,7H2,1H3,(H,12,13)
InChIKeyXKUPTUAWNSFEAJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.01
Rot. Bonds4

About 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde

2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde (PubChem CID 79657119) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde
PubChem CID79657119
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde
SMILESCCCN1CCOC(c2ncc(C=O)[nH]2)C1
InChIInChI=1S/C11H17N3O2/c1-2-3-14-4-5-16-10(7-14)11-12-6-9(8-15)13-11/h6,8,10H,2-5,7H2,1H3,(H,12,13)
InChIKeyXKUPTUAWNSFEAJ-UHFFFAOYSA-N
XLogP1.01
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde?
The IUPAC name of 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde (CID 79657119) is 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde?
The canonical SMILES for 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde is CCCN1CCOC(c2ncc(C=O)[nH]2)C1.
What is the InChIKey of 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde?
The InChIKey is XKUPTUAWNSFEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-3-14-4-5-16-10(7-14)11-12-6-9(8-15)13-11/h6,8,10H,2-5,7H2,1H3,(H,12,13).
What are the key properties of 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde?
2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde has a molecular weight of 223.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde is sourced from PubChem (CID 79657119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).