3-(methoxymethyl)morpholine-4-carbaldehyde

C7H13NO3 — CID 112537810

IUPAC3-(methoxymethyl)morpholine-4-carbaldehyde
SMILESCOCC1COCCN1C=O
InChIInChI=1S/C7H13NO3/c1-10-4-7-5-11-3-2-8(7)6-9/h6-7H,2-5H2,1H3
InChIKeyLQVZAAWGPCTZNS-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.51
Rot. Bonds3

About 3-(methoxymethyl)morpholine-4-carbaldehyde

3-(methoxymethyl)morpholine-4-carbaldehyde (PubChem CID 112537810) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-(methoxymethyl)morpholine-4-carbaldehyde.

Molecular Properties

Compound Name3-(methoxymethyl)morpholine-4-carbaldehyde
PubChem CID112537810
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name3-(methoxymethyl)morpholine-4-carbaldehyde
SMILESCOCC1COCCN1C=O
InChIInChI=1S/C7H13NO3/c1-10-4-7-5-11-3-2-8(7)6-9/h6-7H,2-5H2,1H3
InChIKeyLQVZAAWGPCTZNS-UHFFFAOYSA-N
XLogP-0.51
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 ≤ 5-0.51
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

3-(hydroxymethyl)morpholine-4-carbaldehyde
CID 87595725
4-ethyl-3-(methoxymethyl)morpholine
CID 126561554
3-(methoxymethyl)-N-methylmorpholin-4-amine
CID 166902411
3-ethoxymorpholine-4-carbaldehyde
CID 174369986
(3R)-3-(methoxymethyl)-4-phenylmorpholine
CID 173472557
3-cyclopropylmorpholine-4-carbaldehyde
CID 123226910
ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde
CID 168940768
1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 112537756
ethyl 2-[(3S)-3-(methoxymethyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate
CID 90291472
2-[4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-yl]acetic acid
CID 106588033
3-ethyl-4-(2-methoxyethyl)morpholine
CID 157403746
3,4-ditert-butyl-5-(methoxymethyl)morpholine
CID 153289782

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)morpholine-4-carbaldehyde?
The IUPAC name of 3-(methoxymethyl)morpholine-4-carbaldehyde (CID 112537810) is 3-(methoxymethyl)morpholine-4-carbaldehyde.
What is the SMILES notation for 3-(methoxymethyl)morpholine-4-carbaldehyde?
The canonical SMILES for 3-(methoxymethyl)morpholine-4-carbaldehyde is COCC1COCCN1C=O.
What is the InChIKey of 3-(methoxymethyl)morpholine-4-carbaldehyde?
The InChIKey is LQVZAAWGPCTZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-4-7-5-11-3-2-8(7)6-9/h6-7H,2-5H2,1H3.
What are the key properties of 3-(methoxymethyl)morpholine-4-carbaldehyde?
3-(methoxymethyl)morpholine-4-carbaldehyde has a molecular weight of 159.19 g/mol, XLogP of -0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)morpholine-4-carbaldehyde is sourced from PubChem (CID 112537810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).