oxo-(propan-2-ylamino)phosphanium

C3H9NOP+ — CID 162624033

IUPACoxo-(propan-2-ylamino)phosphanium
SMILESCC(C)N[PH+]=O
InChIInChI=1S/C3H8NOP/c1-3(2)4-6-5/h3H,1-2H3,(H,4,5)/p+1
InChIKeyOWBYZDWNUMGUQW-UHFFFAOYSA-O
MW106.08 g/mol
LogP0.92
Rot. Bonds2

About oxo-(propan-2-ylamino)phosphanium

oxo-(propan-2-ylamino)phosphanium (PubChem CID 162624033) has the molecular formula C3H9NOP+ and a molecular weight of 106.08 g/mol. Its IUPAC name is oxo-(propan-2-ylamino)phosphanium.

Molecular Properties

Compound Nameoxo-(propan-2-ylamino)phosphanium
PubChem CID162624033
Molecular FormulaC3H9NOP+
Molecular Weight106.08 g/mol
Exact Mass106.04
IUPAC Nameoxo-(propan-2-ylamino)phosphanium
SMILESCC(C)N[PH+]=O
InChIInChI=1S/C3H8NOP/c1-3(2)4-6-5/h3H,1-2H3,(H,4,5)/p+1
InChIKeyOWBYZDWNUMGUQW-UHFFFAOYSA-O
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-(propan-2-ylamino)phosphanium?
The IUPAC name of oxo-(propan-2-ylamino)phosphanium (CID 162624033) is oxo-(propan-2-ylamino)phosphanium.
What is the SMILES notation for oxo-(propan-2-ylamino)phosphanium?
The canonical SMILES for oxo-(propan-2-ylamino)phosphanium is CC(C)N[PH+]=O.
What is the InChIKey of oxo-(propan-2-ylamino)phosphanium?
The InChIKey is OWBYZDWNUMGUQW-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8NOP/c1-3(2)4-6-5/h3H,1-2H3,(H,4,5)/p+1.
What are the key properties of oxo-(propan-2-ylamino)phosphanium?
oxo-(propan-2-ylamino)phosphanium has a molecular weight of 106.08 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-(propan-2-ylamino)phosphanium is sourced from PubChem (CID 162624033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).