diethylcarbamoyl-oxido-oxophosphanium

C5H10NO3P — CID 6386758

IUPACdiethylcarbamoyl-oxido-oxophosphanium
SMILESCCN(CC)C(=O)[P+](=O)[O-]
InChIInChI=1S/C5H10NO3P/c1-3-6(4-2)5(7)10(8)9/h3-4H2,1-2H3
InChIKeyJXYZCSLDKRPNMV-UHFFFAOYSA-N
MW163.11 g/mol
LogP0.55
Rot. Bonds3

About diethylcarbamoyl-oxido-oxophosphanium

diethylcarbamoyl-oxido-oxophosphanium (PubChem CID 6386758) has the molecular formula C5H10NO3P and a molecular weight of 163.11 g/mol. Its IUPAC name is diethylcarbamoyl-oxido-oxophosphanium.

Molecular Properties

Compound Namediethylcarbamoyl-oxido-oxophosphanium
PubChem CID6386758
Molecular FormulaC5H10NO3P
Molecular Weight163.11 g/mol
Exact Mass163.04
IUPAC Namediethylcarbamoyl-oxido-oxophosphanium
SMILESCCN(CC)C(=O)[P+](=O)[O-]
InChIInChI=1S/C5H10NO3P/c1-3-6(4-2)5(7)10(8)9/h3-4H2,1-2H3
InChIKeyJXYZCSLDKRPNMV-UHFFFAOYSA-N
XLogP0.55
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.11
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diethylcarbamoyl-oxido-oxophosphanium?
The IUPAC name of diethylcarbamoyl-oxido-oxophosphanium (CID 6386758) is diethylcarbamoyl-oxido-oxophosphanium.
What is the SMILES notation for diethylcarbamoyl-oxido-oxophosphanium?
The canonical SMILES for diethylcarbamoyl-oxido-oxophosphanium is CCN(CC)C(=O)[P+](=O)[O-].
What is the InChIKey of diethylcarbamoyl-oxido-oxophosphanium?
The InChIKey is JXYZCSLDKRPNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO3P/c1-3-6(4-2)5(7)10(8)9/h3-4H2,1-2H3.
What are the key properties of diethylcarbamoyl-oxido-oxophosphanium?
diethylcarbamoyl-oxido-oxophosphanium has a molecular weight of 163.11 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethylcarbamoyl-oxido-oxophosphanium is sourced from PubChem (CID 6386758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).