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

C6H10N2O2 — CID 59974595

IUPAC2-(2-oxo-1,3-diazinan-1-yl)acetaldehyde
SMILESO=CCN1CCCNC1=O
InChIInChI=1S/C6H10N2O2/c9-5-4-8-3-1-2-7-6(8)10/h5H,1-4H2,(H,7,10)
InChIKeyFLYMIKKPODJCMY-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.40
Rot. Bonds2

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

2-(2-oxo-1,3-diazinan-1-yl)acetaldehyde (PubChem CID 59974595) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-(2-oxo-1,3-diazinan-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-oxo-1,3-diazinan-1-yl)acetaldehyde
PubChem CID59974595
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-(2-oxo-1,3-diazinan-1-yl)acetaldehyde
SMILESO=CCN1CCCNC1=O
InChIInChI=1S/C6H10N2O2/c9-5-4-8-3-1-2-7-6(8)10/h5H,1-4H2,(H,7,10)
InChIKeyFLYMIKKPODJCMY-UHFFFAOYSA-N
XLogP-0.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-diazinan-1-yl)acetaldehyde?
The IUPAC name of 2-(2-oxo-1,3-diazinan-1-yl)acetaldehyde (CID 59974595) is 2-(2-oxo-1,3-diazinan-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-oxo-1,3-diazinan-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-oxo-1,3-diazinan-1-yl)acetaldehyde is O=CCN1CCCNC1=O.
What is the InChIKey of 2-(2-oxo-1,3-diazinan-1-yl)acetaldehyde?
The InChIKey is FLYMIKKPODJCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c9-5-4-8-3-1-2-7-6(8)10/h5H,1-4H2,(H,7,10).
What are the key properties of 2-(2-oxo-1,3-diazinan-1-yl)acetaldehyde?
2-(2-oxo-1,3-diazinan-1-yl)acetaldehyde has a molecular weight of 142.16 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-diazinan-1-yl)acetaldehyde is sourced from PubChem (CID 59974595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).