2,5,5-trimethylmorpholine-4-carbaldehyde

C8H15NO2 — CID 141428262

IUPAC2,5,5-trimethylmorpholine-4-carbaldehyde
SMILESCC1CN(C=O)C(C)(C)CO1
InChIInChI=1S/C8H15NO2/c1-7-4-9(6-10)8(2,3)5-11-7/h6-7H,4-5H2,1-3H3
InChIKeyIVWZCOZSWQKVOO-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds1

About 2,5,5-trimethylmorpholine-4-carbaldehyde

2,5,5-trimethylmorpholine-4-carbaldehyde (PubChem CID 141428262) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2,5,5-trimethylmorpholine-4-carbaldehyde.

Molecular Properties

Compound Name2,5,5-trimethylmorpholine-4-carbaldehyde
PubChem CID141428262
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2,5,5-trimethylmorpholine-4-carbaldehyde
SMILESCC1CN(C=O)C(C)(C)CO1
InChIInChI=1S/C8H15NO2/c1-7-4-9(6-10)8(2,3)5-11-7/h6-7H,4-5H2,1-3H3
InChIKeyIVWZCOZSWQKVOO-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,5,5-tetramethylmorpholine
CID 130737621
1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
CID 52985704
N-[3-oxo-3-(2,5,5-trimethylmorpholin-4-yl)propyl]acetamide
CID 110421882
(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde
CID 45083500
(3R)-1-propan-2-yl-3-[(2R)-2,5,5-trimethylmorpholin-4-yl]piperidin-2-one
CID 124624876
2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde
CID 21292195
1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone
CID 97108997
N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 112507547
4-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,5,5-trimethylmorpholine
CID 86791704
5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
CID 110304785
5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile
CID 75506957
3-(2,5,5-trimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 110421938

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethylmorpholine-4-carbaldehyde?
The IUPAC name of 2,5,5-trimethylmorpholine-4-carbaldehyde (CID 141428262) is 2,5,5-trimethylmorpholine-4-carbaldehyde.
What is the SMILES notation for 2,5,5-trimethylmorpholine-4-carbaldehyde?
The canonical SMILES for 2,5,5-trimethylmorpholine-4-carbaldehyde is CC1CN(C=O)C(C)(C)CO1.
What is the InChIKey of 2,5,5-trimethylmorpholine-4-carbaldehyde?
The InChIKey is IVWZCOZSWQKVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7-4-9(6-10)8(2,3)5-11-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,5,5-trimethylmorpholine-4-carbaldehyde?
2,5,5-trimethylmorpholine-4-carbaldehyde has a molecular weight of 157.21 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethylmorpholine-4-carbaldehyde is sourced from PubChem (CID 141428262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).