3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde

C12H21NO4 — CID 102936290

IUPAC3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde
SMILESCC1CN(CC2(C=O)CCOC2)CC(CO)O1
InChIInChI=1S/C12H21NO4/c1-10-4-13(5-11(6-14)17-10)7-12(8-15)2-3-16-9-12/h8,10-11,14H,2-7,9H2,1H3
InChIKeyUAZWMLPSXKTORW-UHFFFAOYSA-N
MW243.30 g/mol
LogP-0.33
Rot. Bonds4

About 3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde

3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde (PubChem CID 102936290) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde
PubChem CID102936290
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde
SMILESCC1CN(CC2(C=O)CCOC2)CC(CO)O1
InChIInChI=1S/C12H21NO4/c1-10-4-13(5-11(6-14)17-10)7-12(8-15)2-3-16-9-12/h8,10-11,14H,2-7,9H2,1H3
InChIKeyUAZWMLPSXKTORW-UHFFFAOYSA-N
XLogP-0.33
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde
CID 62278460
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde
CID 104960586
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde
CID 114780218
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde
CID 112628863
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde
CID 115561832
[4-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-6-methylmorpholin-2-yl]methanol
CID 102936442
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxane-4-carbaldehyde
CID 79183741
[6-methyl-4-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]morpholin-2-yl]methanol
CID 102936430
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
CID 55051211
3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde
CID 131142592
3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde
CID 62277704
[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol
CID 102936478

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde (CID 102936290) is 3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde is CC1CN(CC2(C=O)CCOC2)CC(CO)O1.
What is the InChIKey of 3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde?
The InChIKey is UAZWMLPSXKTORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-10-4-13(5-11(6-14)17-10)7-12(8-15)2-3-16-9-12/h8,10-11,14H,2-7,9H2,1H3.
What are the key properties of 3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde?
3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde has a molecular weight of 243.30 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 102936290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).