methyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium

C5H8N2OP+ — CID 91233630

IUPACmethyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium
SMILESC=[P+](C)c1noc(C)n1
InChIInChI=1S/C5H8N2OP/c1-4-6-5(7-8-4)9(2)3/h2H2,1,3H3/q+1
InChIKeyGQDAFSRHSBYAOV-UHFFFAOYSA-N
MW143.11 g/mol
LogP0.55
Rot. Bonds1

About methyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium

methyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium (PubChem CID 91233630) has the molecular formula C5H8N2OP+ and a molecular weight of 143.11 g/mol. Its IUPAC name is methyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium.

Molecular Properties

Compound Namemethyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium
PubChem CID91233630
Molecular FormulaC5H8N2OP+
Molecular Weight143.11 g/mol
Exact Mass143.04
IUPAC Namemethyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium
SMILESC=[P+](C)c1noc(C)n1
InChIInChI=1S/C5H8N2OP/c1-4-6-5(7-8-4)9(2)3/h2H2,1,3H3/q+1
InChIKeyGQDAFSRHSBYAOV-UHFFFAOYSA-N
XLogP0.55
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
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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Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium?
The IUPAC name of methyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium (CID 91233630) is methyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium.
What is the SMILES notation for methyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium?
The canonical SMILES for methyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium is C=[P+](C)c1noc(C)n1.
What is the InChIKey of methyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium?
The InChIKey is GQDAFSRHSBYAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OP/c1-4-6-5(7-8-4)9(2)3/h2H2,1,3H3/q+1.
What are the key properties of methyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium?
methyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium has a molecular weight of 143.11 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium is sourced from PubChem (CID 91233630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).