2-morpholin-4-ylacetaldehyde

C6H11NO2 — CID 59310625

IUPAC2-morpholin-4-ylacetaldehyde
SMILES[18O]=CCN1CCOCC1
InChIInChI=1S/C6H11NO2/c8-4-1-7-2-5-9-6-3-7/h4H,1-3,5-6H2/i8+2
InChIKeyKKOPYUKQPCQGEM-PPJXEINESA-N
MW131.16 g/mol
LogP-0.48
Rot. Bonds2

About 2-morpholin-4-ylacetaldehyde

2-morpholin-4-ylacetaldehyde (PubChem CID 59310625) has the molecular formula C6H11NO2 and a molecular weight of 131.16 g/mol. Its IUPAC name is 2-morpholin-4-ylacetaldehyde.

Molecular Properties

Compound Name2-morpholin-4-ylacetaldehyde
PubChem CID59310625
Molecular FormulaC6H11NO2
Molecular Weight131.16 g/mol
Exact Mass131.08
IUPAC Name2-morpholin-4-ylacetaldehyde
SMILES[18O]=CCN1CCOCC1
InChIInChI=1S/C6H11NO2/c8-4-1-7-2-5-9-6-3-7/h4H,1-3,5-6H2/i8+2
InChIKeyKKOPYUKQPCQGEM-PPJXEINESA-N
XLogP-0.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 5-0.48
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

4-[(E)-but-2-enyl]morpholine
CID 10909666
4-(6-morpholin-4-ylhexa-2,4-dienyl)morpholine
CID 53425931
4-[(E)-4-bromobut-2-enyl]morpholine
CID 118035457
4-[(E)-4-iodobut-2-enyl]morpholine
CID 118533798
4-(morpholin-4-ylmethyl)morpholine
CID 21839
4-(chloromethyl)morpholine;hydrate
CID 175868958
4-[(E)-4,4-dimethylpent-2-enyl]morpholine
CID 21060370
pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane
CID 132850244
4-(3-methylsulfanylprop-2-enyl)morpholine
CID 123758851
(E)-5-morpholin-4-ylpent-3-enal
CID 115013576
4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine
CID 10868624
(E)-4-morpholin-4-ylbut-2-enoic acid
CID 22466617

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylacetaldehyde?
The IUPAC name of 2-morpholin-4-ylacetaldehyde (CID 59310625) is 2-morpholin-4-ylacetaldehyde.
What is the SMILES notation for 2-morpholin-4-ylacetaldehyde?
The canonical SMILES for 2-morpholin-4-ylacetaldehyde is [18O]=CCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylacetaldehyde?
The InChIKey is KKOPYUKQPCQGEM-PPJXEINESA-N. The full InChI is InChI=1S/C6H11NO2/c8-4-1-7-2-5-9-6-3-7/h4H,1-3,5-6H2/i8+2.
What are the key properties of 2-morpholin-4-ylacetaldehyde?
2-morpholin-4-ylacetaldehyde has a molecular weight of 131.16 g/mol, XLogP of -0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylacetaldehyde is sourced from PubChem (CID 59310625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).