3-(hydroxymethyl)morpholine-4-carbaldehyde

C6H11NO3 — CID 87595725

IUPAC3-(hydroxymethyl)morpholine-4-carbaldehyde
SMILESO=CN1CCOCC1CO
InChIInChI=1S/C6H11NO3/c8-3-6-4-10-2-1-7(6)5-9/h5-6,8H,1-4H2
InChIKeyIWKHPPQEDJVCKM-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.16
Rot. Bonds2

About 3-(hydroxymethyl)morpholine-4-carbaldehyde

3-(hydroxymethyl)morpholine-4-carbaldehyde (PubChem CID 87595725) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-(hydroxymethyl)morpholine-4-carbaldehyde.

Molecular Properties

Compound Name3-(hydroxymethyl)morpholine-4-carbaldehyde
PubChem CID87595725
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name3-(hydroxymethyl)morpholine-4-carbaldehyde
SMILESO=CN1CCOCC1CO
InChIInChI=1S/C6H11NO3/c8-3-6-4-10-2-1-7(6)5-9/h5-6,8H,1-4H2
InChIKeyIWKHPPQEDJVCKM-UHFFFAOYSA-N
XLogP-1.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.16
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 3-(hydroxymethyl)morpholine-4-carbaldehyde?
The IUPAC name of 3-(hydroxymethyl)morpholine-4-carbaldehyde (CID 87595725) is 3-(hydroxymethyl)morpholine-4-carbaldehyde.
What is the SMILES notation for 3-(hydroxymethyl)morpholine-4-carbaldehyde?
The canonical SMILES for 3-(hydroxymethyl)morpholine-4-carbaldehyde is O=CN1CCOCC1CO.
What is the InChIKey of 3-(hydroxymethyl)morpholine-4-carbaldehyde?
The InChIKey is IWKHPPQEDJVCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-3-6-4-10-2-1-7(6)5-9/h5-6,8H,1-4H2.
What are the key properties of 3-(hydroxymethyl)morpholine-4-carbaldehyde?
3-(hydroxymethyl)morpholine-4-carbaldehyde has a molecular weight of 145.16 g/mol, XLogP of -1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)morpholine-4-carbaldehyde is sourced from PubChem (CID 87595725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).