3-morpholin-4-yl-2-(oxan-2-yloxy)propanal

C12H21NO4 — CID 118420558

IUPAC3-morpholin-4-yl-2-(oxan-2-yloxy)propanal
SMILESO=CC(CN1CCOCC1)OC1CCCCO1
InChIInChI=1S/C12H21NO4/c14-10-11(9-13-4-7-15-8-5-13)17-12-3-1-2-6-16-12/h10-12H,1-9H2
InChIKeyBZCHPCVZYCETDS-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.43
Rot. Bonds5

About 3-morpholin-4-yl-2-(oxan-2-yloxy)propanal

3-morpholin-4-yl-2-(oxan-2-yloxy)propanal (PubChem CID 118420558) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-morpholin-4-yl-2-(oxan-2-yloxy)propanal.

Molecular Properties

Compound Name3-morpholin-4-yl-2-(oxan-2-yloxy)propanal
PubChem CID118420558
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-morpholin-4-yl-2-(oxan-2-yloxy)propanal
SMILESO=CC(CN1CCOCC1)OC1CCCCO1
InChIInChI=1S/C12H21NO4/c14-10-11(9-13-4-7-15-8-5-13)17-12-3-1-2-6-16-12/h10-12H,1-9H2
InChIKeyBZCHPCVZYCETDS-UHFFFAOYSA-N
XLogP0.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-morpholino-2-((tetrahydro-2H-pyran-2-yl)oxy)propan-1-one
CID 10977653
(2S)-1-Morpholino-2-((tetrahydro-2H-pyran-2-yl)oxy)propan-1-one
CID 14978394
1-Morpholino-2-tetrahydropyran-2-yloxy-propan-1-one
CID 22645525
(2R)-1-morpholin-4-yl-2-[(2R)-oxan-2-yl]oxypropan-1-one
CID 92982714
1-morpholin-4-yl-2-[(2R)-oxan-2-yl]oxypropan-1-one
CID 118420296
(2R)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal
CID 118420297
ethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one
CID 144656991
(2S)-3-morpholin-4-yl-2-(oxan-2-yloxy)propanal
CID 170438347
Methyl 4-[2-(oxan-2-yloxy)ethyl]morpholine-2-carboxylate
CID 113331025

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2-(oxan-2-yloxy)propanal?
The IUPAC name of 3-morpholin-4-yl-2-(oxan-2-yloxy)propanal (CID 118420558) is 3-morpholin-4-yl-2-(oxan-2-yloxy)propanal.
What is the SMILES notation for 3-morpholin-4-yl-2-(oxan-2-yloxy)propanal?
The canonical SMILES for 3-morpholin-4-yl-2-(oxan-2-yloxy)propanal is O=CC(CN1CCOCC1)OC1CCCCO1.
What is the InChIKey of 3-morpholin-4-yl-2-(oxan-2-yloxy)propanal?
The InChIKey is BZCHPCVZYCETDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c14-10-11(9-13-4-7-15-8-5-13)17-12-3-1-2-6-16-12/h10-12H,1-9H2.
What are the key properties of 3-morpholin-4-yl-2-(oxan-2-yloxy)propanal?
3-morpholin-4-yl-2-(oxan-2-yloxy)propanal has a molecular weight of 243.30 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2-(oxan-2-yloxy)propanal is sourced from PubChem (CID 118420558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).