methyl-oxo-(propan-2-ylamino)phosphanium

C4H11NOP+ — CID 20737684

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

About methyl-oxo-(propan-2-ylamino)phosphanium

methyl-oxo-(propan-2-ylamino)phosphanium (PubChem CID 20737684) has the molecular formula C4H11NOP+ and a molecular weight of 120.11 g/mol. Its IUPAC name is methyl-oxo-(propan-2-ylamino)phosphanium.

Molecular Properties

Compound Namemethyl-oxo-(propan-2-ylamino)phosphanium
PubChem CID20737684
Molecular FormulaC4H11NOP+
Molecular Weight120.11 g/mol
Exact Mass120.06
IUPAC Namemethyl-oxo-(propan-2-ylamino)phosphanium
SMILESCC(C)N[P+](C)=O
InChIInChI=1S/C4H11NOP/c1-4(2)5-7(3)6/h4H,1-3H3,(H,5,6)/q+1
InChIKeyOCBALCFQCXUMTQ-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 methyl-oxo-(propan-2-ylamino)phosphanium?
The IUPAC name of methyl-oxo-(propan-2-ylamino)phosphanium (CID 20737684) is methyl-oxo-(propan-2-ylamino)phosphanium.
What is the SMILES notation for methyl-oxo-(propan-2-ylamino)phosphanium?
The canonical SMILES for methyl-oxo-(propan-2-ylamino)phosphanium is CC(C)N[P+](C)=O.
What is the InChIKey of methyl-oxo-(propan-2-ylamino)phosphanium?
The InChIKey is OCBALCFQCXUMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOP/c1-4(2)5-7(3)6/h4H,1-3H3,(H,5,6)/q+1.
What are the key properties of methyl-oxo-(propan-2-ylamino)phosphanium?
methyl-oxo-(propan-2-ylamino)phosphanium 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 methyl-oxo-(propan-2-ylamino)phosphanium is sourced from PubChem (CID 20737684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).