3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde

C12H21NO3 — CID 62278460

IUPAC3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde
SMILESCC1CN(CC2(C=O)CCOC2)CC(C)O1
InChIInChI=1S/C12H21NO3/c1-10-5-13(6-11(2)16-10)7-12(8-14)3-4-15-9-12/h8,10-11H,3-7,9H2,1-2H3
InChIKeyYIZMBNNSBOTKTK-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.70
Rot. Bonds3

About 3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde

3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde (PubChem CID 62278460) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde
PubChem CID62278460
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde
SMILESCC1CN(CC2(C=O)CCOC2)CC(C)O1
InChIInChI=1S/C12H21NO3/c1-10-5-13(6-11(2)16-10)7-12(8-14)3-4-15-9-12/h8,10-11H,3-7,9H2,1-2H3
InChIKeyYIZMBNNSBOTKTK-UHFFFAOYSA-N
XLogP0.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde (CID 62278460) is 3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde is CC1CN(CC2(C=O)CCOC2)CC(C)O1.
What is the InChIKey of 3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde?
The InChIKey is YIZMBNNSBOTKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10-5-13(6-11(2)16-10)7-12(8-14)3-4-15-9-12/h8,10-11H,3-7,9H2,1-2H3.
What are the key properties of 3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde?
3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde has a molecular weight of 227.30 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62278460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).