2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde

C10H18BrN2O4P — CID 2783560

IUPAC2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde
SMILESO=CC(Br)P(=O)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H18BrN2O4P/c11-10(9-14)18(15,12-1-5-16-6-2-12)13-3-7-17-8-4-13/h9-10H,1-8H2
InChIKeyKNCFQXHOZHPNFY-UHFFFAOYSA-N
MW341.14 g/mol
LogP0.76
Rot. Bonds4

About 2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde

2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde (PubChem CID 2783560) has the molecular formula C10H18BrN2O4P and a molecular weight of 341.14 g/mol. Its IUPAC name is 2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde.

Molecular Properties

Compound Name2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde
PubChem CID2783560
Molecular FormulaC10H18BrN2O4P
Molecular Weight341.14 g/mol
Exact Mass340.02
IUPAC Name2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde
SMILESO=CC(Br)P(=O)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H18BrN2O4P/c11-10(9-14)18(15,12-1-5-16-6-2-12)13-3-7-17-8-4-13/h9-10H,1-8H2
InChIKeyKNCFQXHOZHPNFY-UHFFFAOYSA-N
XLogP0.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimorpholin-4-ylphosphinic acid
CID 4193589
N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine
CID 13381598
1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde
CID 86143378
2-chloro-2-morpholin-4-ylacetaldehyde
CID 87774455
(1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide
CID 15685821
3-amino-2-morpholin-4-ylpropanal
CID 174706845
4-[2,3-dimethylbutan-2-yl(methoxy)phosphoryl]morpholine
CID 163490188
(NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine
CID 5417930
4-diaminophosphinothioylmorpholine
CID 57020028
dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane
CID 171129956
methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 2506566
morpholine-4-carbaldehyde;perchloric acid
CID 12512320

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde?
The IUPAC name of 2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde (CID 2783560) is 2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde.
What is the SMILES notation for 2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde?
The canonical SMILES for 2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde is O=CC(Br)P(=O)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde?
The InChIKey is KNCFQXHOZHPNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN2O4P/c11-10(9-14)18(15,12-1-5-16-6-2-12)13-3-7-17-8-4-13/h9-10H,1-8H2.
What are the key properties of 2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde?
2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde has a molecular weight of 341.14 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde is sourced from PubChem (CID 2783560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).