(5S)-5-methylmorpholine-3-carbaldehyde

C6H11NO2 — CID 174669389

IUPAC(5S)-5-methylmorpholine-3-carbaldehyde
SMILESC[C@H]1COCC(C=O)N1
InChIInChI=1S/C6H11NO2/c1-5-3-9-4-6(2-8)7-5/h2,5-7H,3-4H2,1H3/t5-,6?/m0/s1
InChIKeyUTEGDBVYCCNIFP-ZBHICJROSA-N
MW129.16 g/mol
LogP-0.44
Rot. Bonds1

About (5S)-5-methylmorpholine-3-carbaldehyde

(5S)-5-methylmorpholine-3-carbaldehyde (PubChem CID 174669389) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (5S)-5-methylmorpholine-3-carbaldehyde.

Molecular Properties

Compound Name(5S)-5-methylmorpholine-3-carbaldehyde
PubChem CID174669389
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(5S)-5-methylmorpholine-3-carbaldehyde
SMILESC[C@H]1COCC(C=O)N1
InChIInChI=1S/C6H11NO2/c1-5-3-9-4-6(2-8)7-5/h2,5-7H,3-4H2,1H3/t5-,6?/m0/s1
InChIKeyUTEGDBVYCCNIFP-ZBHICJROSA-N
XLogP-0.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methylmorpholine-3-carbaldehyde?
The IUPAC name of (5S)-5-methylmorpholine-3-carbaldehyde (CID 174669389) is (5S)-5-methylmorpholine-3-carbaldehyde.
What is the SMILES notation for (5S)-5-methylmorpholine-3-carbaldehyde?
The canonical SMILES for (5S)-5-methylmorpholine-3-carbaldehyde is C[C@H]1COCC(C=O)N1.
What is the InChIKey of (5S)-5-methylmorpholine-3-carbaldehyde?
The InChIKey is UTEGDBVYCCNIFP-ZBHICJROSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5-3-9-4-6(2-8)7-5/h2,5-7H,3-4H2,1H3/t5-,6?/m0/s1.
What are the key properties of (5S)-5-methylmorpholine-3-carbaldehyde?
(5S)-5-methylmorpholine-3-carbaldehyde has a molecular weight of 129.16 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methylmorpholine-3-carbaldehyde is sourced from PubChem (CID 174669389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).