6-methylmorpholine-2-carbaldehyde

C6H11NO2 — CID 174675793

IUPAC6-methylmorpholine-2-carbaldehyde
SMILESCC1CNCC(C=O)O1
InChIInChI=1S/C6H11NO2/c1-5-2-7-3-6(4-8)9-5/h4-7H,2-3H2,1H3
InChIKeyHZYQEFFASSPJTO-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.44
Rot. Bonds1

About 6-methylmorpholine-2-carbaldehyde

6-methylmorpholine-2-carbaldehyde (PubChem CID 174675793) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 6-methylmorpholine-2-carbaldehyde.

Molecular Properties

Compound Name6-methylmorpholine-2-carbaldehyde
PubChem CID174675793
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name6-methylmorpholine-2-carbaldehyde
SMILESCC1CNCC(C=O)O1
InChIInChI=1S/C6H11NO2/c1-5-2-7-3-6(4-8)9-5/h4-7H,2-3H2,1H3
InChIKeyHZYQEFFASSPJTO-UHFFFAOYSA-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 6-methylmorpholine-2-carbaldehyde?
The IUPAC name of 6-methylmorpholine-2-carbaldehyde (CID 174675793) is 6-methylmorpholine-2-carbaldehyde.
What is the SMILES notation for 6-methylmorpholine-2-carbaldehyde?
The canonical SMILES for 6-methylmorpholine-2-carbaldehyde is CC1CNCC(C=O)O1.
What is the InChIKey of 6-methylmorpholine-2-carbaldehyde?
The InChIKey is HZYQEFFASSPJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5-2-7-3-6(4-8)9-5/h4-7H,2-3H2,1H3.
What are the key properties of 6-methylmorpholine-2-carbaldehyde?
6-methylmorpholine-2-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 6-methylmorpholine-2-carbaldehyde is sourced from PubChem (CID 174675793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).