morpholine-4-carbaldehyde;1-morpholin-4-ylethanone

C11H20N2O4 — CID 158454049

IUPACmorpholine-4-carbaldehyde;1-morpholin-4-ylethanone
SMILESCC(=O)N1CCOCC1.O=CN1CCOCC1
InChIInChI=1S/C6H11NO2.C5H9NO2/c1-6(8)7-2-4-9-5-3-7;7-5-6-1-3-8-4-2-6/h2-5H2,1H3;5H,1-4H2
InChIKeyHEIUJBYAEQDIAN-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.66
Rot. Bonds1

About morpholine-4-carbaldehyde;1-morpholin-4-ylethanone

morpholine-4-carbaldehyde;1-morpholin-4-ylethanone (PubChem CID 158454049) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is morpholine-4-carbaldehyde;1-morpholin-4-ylethanone.

Molecular Properties

Compound Namemorpholine-4-carbaldehyde;1-morpholin-4-ylethanone
PubChem CID158454049
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemorpholine-4-carbaldehyde;1-morpholin-4-ylethanone
SMILESCC(=O)N1CCOCC1.O=CN1CCOCC1
InChIInChI=1S/C6H11NO2.C5H9NO2/c1-6(8)7-2-4-9-5-3-7;7-5-6-1-3-8-4-2-6/h2-5H2,1H3;5H,1-4H2
InChIKeyHEIUJBYAEQDIAN-UHFFFAOYSA-N
XLogP-0.66
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde
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1-chloropropane;morpholine-4-carbaldehyde
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4-morpholin-4-ylpent-3-en-2-one
CID 592427
4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 108974246
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
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(Z)-2-(4-acetylpiperazine-1-carbonyl)-3-morpholin-4-ylprop-2-enenitrile
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1-(5-acetyl-1,4,5-oxadiazepan-4-yl)ethanone
CID 11735587

Frequently Asked Questions

What is the IUPAC name of morpholine-4-carbaldehyde;1-morpholin-4-ylethanone?
The IUPAC name of morpholine-4-carbaldehyde;1-morpholin-4-ylethanone (CID 158454049) is morpholine-4-carbaldehyde;1-morpholin-4-ylethanone.
What is the SMILES notation for morpholine-4-carbaldehyde;1-morpholin-4-ylethanone?
The canonical SMILES for morpholine-4-carbaldehyde;1-morpholin-4-ylethanone is CC(=O)N1CCOCC1.O=CN1CCOCC1.
What is the InChIKey of morpholine-4-carbaldehyde;1-morpholin-4-ylethanone?
The InChIKey is HEIUJBYAEQDIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C5H9NO2/c1-6(8)7-2-4-9-5-3-7;7-5-6-1-3-8-4-2-6/h2-5H2,1H3;5H,1-4H2.
What are the key properties of morpholine-4-carbaldehyde;1-morpholin-4-ylethanone?
morpholine-4-carbaldehyde;1-morpholin-4-ylethanone has a molecular weight of 244.29 g/mol, XLogP of -0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-carbaldehyde;1-morpholin-4-ylethanone is sourced from PubChem (CID 158454049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).