2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde

C6H11N2O2P — CID 18344869

IUPAC2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde
SMILESO=CCN1CN(P)CCC1=O
InChIInChI=1S/C6H11N2O2P/c9-4-3-7-5-8(11)2-1-6(7)10/h4H,1-3,5,11H2
InChIKeyNUFZJYJSCCWJMI-UHFFFAOYSA-N
MW174.14 g/mol
LogP-0.53
Rot. Bonds2

About 2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde

2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde (PubChem CID 18344869) has the molecular formula C6H11N2O2P and a molecular weight of 174.14 g/mol. Its IUPAC name is 2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde
PubChem CID18344869
Molecular FormulaC6H11N2O2P
Molecular Weight174.14 g/mol
Exact Mass174.06
IUPAC Name2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde
SMILESO=CCN1CN(P)CCC1=O
InChIInChI=1S/C6H11N2O2P/c9-4-3-7-5-8(11)2-1-6(7)10/h4H,1-3,5,11H2
InChIKeyNUFZJYJSCCWJMI-UHFFFAOYSA-N
XLogP-0.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde?
The IUPAC name of 2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde (CID 18344869) is 2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde.
What is the SMILES notation for 2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde?
The canonical SMILES for 2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde is O=CCN1CN(P)CCC1=O.
What is the InChIKey of 2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde?
The InChIKey is NUFZJYJSCCWJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O2P/c9-4-3-7-5-8(11)2-1-6(7)10/h4H,1-3,5,11H2.
What are the key properties of 2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde?
2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde has a molecular weight of 174.14 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-phosphanyl-1,3-diazinan-1-yl)acetaldehyde is sourced from PubChem (CID 18344869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).