2-morpholin-2-yl-2-oxoacetaldehyde

C6H9NO3 — CID 19972079

IUPAC2-morpholin-2-yl-2-oxoacetaldehyde
SMILESO=CC(=O)C1CNCCO1
InChIInChI=1S/C6H9NO3/c8-4-5(9)6-3-7-1-2-10-6/h4,6-7H,1-3H2
InChIKeyFPOIVQGOANAWAQ-UHFFFAOYSA-N
MW143.14 g/mol
LogP-1.26
Rot. Bonds2

About 2-morpholin-2-yl-2-oxoacetaldehyde

2-morpholin-2-yl-2-oxoacetaldehyde (PubChem CID 19972079) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-morpholin-2-yl-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-morpholin-2-yl-2-oxoacetaldehyde
PubChem CID19972079
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-morpholin-2-yl-2-oxoacetaldehyde
SMILESO=CC(=O)C1CNCCO1
InChIInChI=1S/C6H9NO3/c8-4-5(9)6-3-7-1-2-10-6/h4,6-7H,1-3H2
InChIKeyFPOIVQGOANAWAQ-UHFFFAOYSA-N
XLogP-1.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-morpholin-2-ylbut-2-en-1-one
CID 70502586
(2R)-morpholine-2-carboxamide
CID 51600069
ethane;morpholine-2-carboxylic acid
CID 170608685
ethane;1-morpholin-2-ylethanone
CID 143224838
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one
CID 23164285
2-morpholin-2-ylprop-2-enoic acid
CID 175579148
2-cyclobutyl-1-morpholin-2-ylethanone
CID 116561623
1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one
CID 175463061
1-morpholin-2-yl-2-piperazin-2-ylethanone
CID 173017543
(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 131067526

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-yl-2-oxoacetaldehyde?
The IUPAC name of 2-morpholin-2-yl-2-oxoacetaldehyde (CID 19972079) is 2-morpholin-2-yl-2-oxoacetaldehyde.
What is the SMILES notation for 2-morpholin-2-yl-2-oxoacetaldehyde?
The canonical SMILES for 2-morpholin-2-yl-2-oxoacetaldehyde is O=CC(=O)C1CNCCO1.
What is the InChIKey of 2-morpholin-2-yl-2-oxoacetaldehyde?
The InChIKey is FPOIVQGOANAWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-4-5(9)6-3-7-1-2-10-6/h4,6-7H,1-3H2.
What are the key properties of 2-morpholin-2-yl-2-oxoacetaldehyde?
2-morpholin-2-yl-2-oxoacetaldehyde has a molecular weight of 143.14 g/mol, XLogP of -1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-yl-2-oxoacetaldehyde is sourced from PubChem (CID 19972079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).