methylamino-oxo-propan-2-ylphosphanium

C4H11NOP+ — CID 89289883

IUPACmethylamino-oxo-propan-2-ylphosphanium
SMILESCN[P+](=O)C(C)C
InChIInChI=1S/C4H11NOP/c1-4(2)7(6)5-3/h4H,1-3H3,(H,5,6)/q+1
InChIKeyUNFFXBXVIQKWEA-UHFFFAOYSA-N
MW120.11 g/mol
LogP1.36
Rot. Bonds2

About methylamino-oxo-propan-2-ylphosphanium

methylamino-oxo-propan-2-ylphosphanium (PubChem CID 89289883) has the molecular formula C4H11NOP+ and a molecular weight of 120.11 g/mol. Its IUPAC name is methylamino-oxo-propan-2-ylphosphanium.

Molecular Properties

Compound Namemethylamino-oxo-propan-2-ylphosphanium
PubChem CID89289883
Molecular FormulaC4H11NOP+
Molecular Weight120.11 g/mol
Exact Mass120.06
IUPAC Namemethylamino-oxo-propan-2-ylphosphanium
SMILESCN[P+](=O)C(C)C
InChIInChI=1S/C4H11NOP/c1-4(2)7(6)5-3/h4H,1-3H3,(H,5,6)/q+1
InChIKeyUNFFXBXVIQKWEA-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 51.36
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 methylamino-oxo-propan-2-ylphosphanium?
The IUPAC name of methylamino-oxo-propan-2-ylphosphanium (CID 89289883) is methylamino-oxo-propan-2-ylphosphanium.
What is the SMILES notation for methylamino-oxo-propan-2-ylphosphanium?
The canonical SMILES for methylamino-oxo-propan-2-ylphosphanium is CN[P+](=O)C(C)C.
What is the InChIKey of methylamino-oxo-propan-2-ylphosphanium?
The InChIKey is UNFFXBXVIQKWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOP/c1-4(2)7(6)5-3/h4H,1-3H3,(H,5,6)/q+1.
What are the key properties of methylamino-oxo-propan-2-ylphosphanium?
methylamino-oxo-propan-2-ylphosphanium has a molecular weight of 120.11 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino-oxo-propan-2-ylphosphanium is sourced from PubChem (CID 89289883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).