4-propan-2-ylmorpholine-2-carbaldehyde

C8H15NO2 — CID 130591094

IUPAC4-propan-2-ylmorpholine-2-carbaldehyde
SMILESCC(C)N1CCOC(C=O)C1
InChIInChI=1S/C8H15NO2/c1-7(2)9-3-4-11-8(5-9)6-10/h6-8H,3-5H2,1-2H3
InChIKeyAEVSLVIISQVUQB-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.29
Rot. Bonds2

About 4-propan-2-ylmorpholine-2-carbaldehyde

4-propan-2-ylmorpholine-2-carbaldehyde (PubChem CID 130591094) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-propan-2-ylmorpholine-2-carbaldehyde.

Molecular Properties

Compound Name4-propan-2-ylmorpholine-2-carbaldehyde
PubChem CID130591094
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-propan-2-ylmorpholine-2-carbaldehyde
SMILESCC(C)N1CCOC(C=O)C1
InChIInChI=1S/C8H15NO2/c1-7(2)9-3-4-11-8(5-9)6-10/h6-8H,3-5H2,1-2H3
InChIKeyAEVSLVIISQVUQB-UHFFFAOYSA-N
XLogP0.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-propan-2-ylmorpholine-2-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 4-propan-2-ylmorpholine-2-carbaldehyde?
The IUPAC name of 4-propan-2-ylmorpholine-2-carbaldehyde (CID 130591094) is 4-propan-2-ylmorpholine-2-carbaldehyde.
What is the SMILES notation for 4-propan-2-ylmorpholine-2-carbaldehyde?
The canonical SMILES for 4-propan-2-ylmorpholine-2-carbaldehyde is CC(C)N1CCOC(C=O)C1.
What is the InChIKey of 4-propan-2-ylmorpholine-2-carbaldehyde?
The InChIKey is AEVSLVIISQVUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)9-3-4-11-8(5-9)6-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-propan-2-ylmorpholine-2-carbaldehyde?
4-propan-2-ylmorpholine-2-carbaldehyde has a molecular weight of 157.21 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylmorpholine-2-carbaldehyde is sourced from PubChem (CID 130591094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).