2-chloro-2-morpholin-4-ylacetaldehyde

C6H10ClNO2 — CID 87774455

IUPAC2-chloro-2-morpholin-4-ylacetaldehyde
SMILESO=CC(Cl)N1CCOCC1
InChIInChI=1S/C6H10ClNO2/c7-6(5-9)8-1-3-10-4-2-8/h5-6H,1-4H2
InChIKeyARJQZGMVTDJAAM-UHFFFAOYSA-N
MW163.60 g/mol
LogP0.08
Rot. Bonds2

About 2-chloro-2-morpholin-4-ylacetaldehyde

2-chloro-2-morpholin-4-ylacetaldehyde (PubChem CID 87774455) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is 2-chloro-2-morpholin-4-ylacetaldehyde.

Molecular Properties

Compound Name2-chloro-2-morpholin-4-ylacetaldehyde
PubChem CID87774455
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name2-chloro-2-morpholin-4-ylacetaldehyde
SMILESO=CC(Cl)N1CCOCC1
InChIInChI=1S/C6H10ClNO2/c7-6(5-9)8-1-3-10-4-2-8/h5-6H,1-4H2
InChIKeyARJQZGMVTDJAAM-UHFFFAOYSA-N
XLogP0.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-morpholin-4-ylpropanal
CID 174706845
4-hydroxy-2-morpholin-4-ylbutanal
CID 87837145
(Z)-N-[chloro(morpholin-4-yl)methyl]-1-morpholin-4-ylmethanimine
CID 134893198
2-morpholin-4-yl-2-phenylacetaldehyde;hydrochloride
CID 87063992
2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde
CID 91179200
(1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate
CID 87464062
1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde
CID 86143378
2-hydroxy-2-morpholin-4-ylacetic acid
CID 12864793
2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde
CID 2783560
2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid
CID 69340391
fluoromethane;4-propan-2-ylmorpholine
CID 177187231
4-(2,2,4,4-tetramethylpentan-3-yl)morpholine
CID 57301157

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-morpholin-4-ylacetaldehyde?
The IUPAC name of 2-chloro-2-morpholin-4-ylacetaldehyde (CID 87774455) is 2-chloro-2-morpholin-4-ylacetaldehyde.
What is the SMILES notation for 2-chloro-2-morpholin-4-ylacetaldehyde?
The canonical SMILES for 2-chloro-2-morpholin-4-ylacetaldehyde is O=CC(Cl)N1CCOCC1.
What is the InChIKey of 2-chloro-2-morpholin-4-ylacetaldehyde?
The InChIKey is ARJQZGMVTDJAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO2/c7-6(5-9)8-1-3-10-4-2-8/h5-6H,1-4H2.
What are the key properties of 2-chloro-2-morpholin-4-ylacetaldehyde?
2-chloro-2-morpholin-4-ylacetaldehyde has a molecular weight of 163.60 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-morpholin-4-ylacetaldehyde is sourced from PubChem (CID 87774455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).