diethylamino-oxo-phenylphosphanium

C10H15NOP+ — CID 12513100

IUPACdiethylamino-oxo-phenylphosphanium
SMILESCCN(CC)[P+](=O)c1ccccc1
InChIInChI=1S/C10H15NOP/c1-3-11(4-2)13(12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/q+1
InChIKeyXKWRVGGUDNJAEW-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.40
Rot. Bonds4

About diethylamino-oxo-phenylphosphanium

diethylamino-oxo-phenylphosphanium (PubChem CID 12513100) has the molecular formula C10H15NOP+ and a molecular weight of 196.21 g/mol. Its IUPAC name is diethylamino-oxo-phenylphosphanium.

Molecular Properties

Compound Namediethylamino-oxo-phenylphosphanium
PubChem CID12513100
Molecular FormulaC10H15NOP+
Molecular Weight196.21 g/mol
Exact Mass196.09
IUPAC Namediethylamino-oxo-phenylphosphanium
SMILESCCN(CC)[P+](=O)c1ccccc1
InChIInChI=1S/C10H15NOP/c1-3-11(4-2)13(12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/q+1
InChIKeyXKWRVGGUDNJAEW-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

oxo-phenyl-propylphosphanium
CID 19035096
methanol;oxo(diphenyl)phosphanium
CID 174996285
cadmium;oxo(diphenyl)phosphanium
CID 174925548
diphenylphosphane;ethyl-oxo-phenylphosphanium
CID 174463449
[1-[diphenylphosphoryl(propan-2-yl)amino]propyl-propan-2-ylamino]-oxo-phenylphosphanium
CID 71130903
1-iodobutyl-oxo-phenylphosphanium
CID 163843662
(2,6-dimethylbenzoyl)-oxo-phenylphosphanium
CID 67176585
cerium;ethyl-oxo-phenoxyphosphanium
CID 174771782
tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium
CID 173147544
diethylamino-methyl-oxophosphanium
CID 23418668
N,N-diethylaniline
CID 7061
hydroxy-oxo-phenylphosphanium;hydrochloride
CID 172693291

Frequently Asked Questions

What is the IUPAC name of diethylamino-oxo-phenylphosphanium?
The IUPAC name of diethylamino-oxo-phenylphosphanium (CID 12513100) is diethylamino-oxo-phenylphosphanium.
What is the SMILES notation for diethylamino-oxo-phenylphosphanium?
The canonical SMILES for diethylamino-oxo-phenylphosphanium is CCN(CC)[P+](=O)c1ccccc1.
What is the InChIKey of diethylamino-oxo-phenylphosphanium?
The InChIKey is XKWRVGGUDNJAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOP/c1-3-11(4-2)13(12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/q+1.
What are the key properties of diethylamino-oxo-phenylphosphanium?
diethylamino-oxo-phenylphosphanium has a molecular weight of 196.21 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethylamino-oxo-phenylphosphanium is sourced from PubChem (CID 12513100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).