morpholine;2-phenylacetaldehyde

C12H17NO2 — CID 174954462

IUPACmorpholine;2-phenylacetaldehyde
SMILESC1COCCN1.O=CCc1ccccc1
InChIInChI=1S/C8H8O.C4H9NO/c9-7-6-8-4-2-1-3-5-8;1-3-6-4-2-5-1/h1-5,7H,6H2;5H,1-4H2
InChIKeyJQUHHQRJKRNTED-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.03
Rot. Bonds2

About morpholine;2-phenylacetaldehyde

morpholine;2-phenylacetaldehyde (PubChem CID 174954462) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is morpholine;2-phenylacetaldehyde.

Molecular Properties

Compound Namemorpholine;2-phenylacetaldehyde
PubChem CID174954462
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemorpholine;2-phenylacetaldehyde
SMILESC1COCCN1.O=CCc1ccccc1
InChIInChI=1S/C8H8O.C4H9NO/c9-7-6-8-4-2-1-3-5-8;1-3-6-4-2-5-1/h1-5,7H,6H2;5H,1-4H2
InChIKeyJQUHHQRJKRNTED-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze morpholine;2-phenylacetaldehyde 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 morpholine;2-phenylacetaldehyde?
The IUPAC name of morpholine;2-phenylacetaldehyde (CID 174954462) is morpholine;2-phenylacetaldehyde.
What is the SMILES notation for morpholine;2-phenylacetaldehyde?
The canonical SMILES for morpholine;2-phenylacetaldehyde is C1COCCN1.O=CCc1ccccc1.
What is the InChIKey of morpholine;2-phenylacetaldehyde?
The InChIKey is JQUHHQRJKRNTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C4H9NO/c9-7-6-8-4-2-1-3-5-8;1-3-6-4-2-5-1/h1-5,7H,6H2;5H,1-4H2.
What are the key properties of morpholine;2-phenylacetaldehyde?
morpholine;2-phenylacetaldehyde has a molecular weight of 207.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;2-phenylacetaldehyde is sourced from PubChem (CID 174954462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).