3-ethoxymorpholine-4-carbaldehyde

C7H13NO3 — CID 174369986

IUPAC3-ethoxymorpholine-4-carbaldehyde
SMILESCCOC1COCCN1C=O
InChIInChI=1S/C7H13NO3/c1-2-11-7-5-10-4-3-8(7)6-9/h6-7H,2-5H2,1H3
InChIKeyHIQQOHMNOHPMRA-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.16
Rot. Bonds3

About 3-ethoxymorpholine-4-carbaldehyde

3-ethoxymorpholine-4-carbaldehyde (PubChem CID 174369986) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-ethoxymorpholine-4-carbaldehyde.

Molecular Properties

Compound Name3-ethoxymorpholine-4-carbaldehyde
PubChem CID174369986
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name3-ethoxymorpholine-4-carbaldehyde
SMILESCCOC1COCCN1C=O
InChIInChI=1S/C7H13NO3/c1-2-11-7-5-10-4-3-8(7)6-9/h6-7H,2-5H2,1H3
InChIKeyHIQQOHMNOHPMRA-UHFFFAOYSA-N
XLogP-0.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-ethoxy-4-methylmorpholine;hydrochloride
CID 159817733
2-ethoxypiperidine-1-carbaldehyde
CID 87544079
3-(methoxymethyl)morpholine-4-carbaldehyde
CID 112537810
3-(hydroxymethyl)morpholine-4-carbaldehyde
CID 87595725
3-cyclopropylmorpholine-4-carbaldehyde
CID 123226910
ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde
CID 168940768
3-ethoxy-4-(phenoxymethyl)morpholine
CID 140967169
(3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde
CID 175509162
(3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde
CID 175315044
ethane;3-ethoxyoxolane
CID 142523367
4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid
CID 144675033
3-(2,4-dihydroxy-6-pentylphenyl)morpholine-4-carbaldehyde
CID 162788357

Frequently Asked Questions

What is the IUPAC name of 3-ethoxymorpholine-4-carbaldehyde?
The IUPAC name of 3-ethoxymorpholine-4-carbaldehyde (CID 174369986) is 3-ethoxymorpholine-4-carbaldehyde.
What is the SMILES notation for 3-ethoxymorpholine-4-carbaldehyde?
The canonical SMILES for 3-ethoxymorpholine-4-carbaldehyde is CCOC1COCCN1C=O.
What is the InChIKey of 3-ethoxymorpholine-4-carbaldehyde?
The InChIKey is HIQQOHMNOHPMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-11-7-5-10-4-3-8(7)6-9/h6-7H,2-5H2,1H3.
What are the key properties of 3-ethoxymorpholine-4-carbaldehyde?
3-ethoxymorpholine-4-carbaldehyde has a molecular weight of 159.19 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxymorpholine-4-carbaldehyde is sourced from PubChem (CID 174369986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).