(3S)-morpholine-3-carbaldehyde

C5H9NO2 — CID 89135218

IUPAC(3S)-morpholine-3-carbaldehyde
SMILESO=C[C@@H]1COCCN1
InChIInChI=1S/C5H9NO2/c7-3-5-4-8-2-1-6-5/h3,5-6H,1-2,4H2/t5-/m1/s1
InChIKeyVVHBCUUKJUWRBA-RXMQYKEDSA-N
MW115.13 g/mol
LogP-0.83
Rot. Bonds1

About (3S)-morpholine-3-carbaldehyde

(3S)-morpholine-3-carbaldehyde (PubChem CID 89135218) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (3S)-morpholine-3-carbaldehyde.

Molecular Properties

Compound Name(3S)-morpholine-3-carbaldehyde
PubChem CID89135218
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(3S)-morpholine-3-carbaldehyde
SMILESO=C[C@@H]1COCCN1
InChIInChI=1S/C5H9NO2/c7-3-5-4-8-2-1-6-5/h3,5-6H,1-2,4H2/t5-/m1/s1
InChIKeyVVHBCUUKJUWRBA-RXMQYKEDSA-N
XLogP-0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-morpholine-3-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 (3S)-morpholine-3-carbaldehyde?
The IUPAC name of (3S)-morpholine-3-carbaldehyde (CID 89135218) is (3S)-morpholine-3-carbaldehyde.
What is the SMILES notation for (3S)-morpholine-3-carbaldehyde?
The canonical SMILES for (3S)-morpholine-3-carbaldehyde is O=C[C@@H]1COCCN1.
What is the InChIKey of (3S)-morpholine-3-carbaldehyde?
The InChIKey is VVHBCUUKJUWRBA-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H9NO2/c7-3-5-4-8-2-1-6-5/h3,5-6H,1-2,4H2/t5-/m1/s1.
What are the key properties of (3S)-morpholine-3-carbaldehyde?
(3S)-morpholine-3-carbaldehyde has a molecular weight of 115.13 g/mol, XLogP of -0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-morpholine-3-carbaldehyde is sourced from PubChem (CID 89135218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).