methylidyne(propoxymethyl)azanium

C5H10NO+ — CID 91560858

IUPACmethylidyne(propoxymethyl)azanium
SMILESC#[N+]COCCC
InChIInChI=1S/C5H10NO/c1-3-4-7-5-6-2/h2H,3-5H2,1H3/q+1
InChIKeyKRZOJMUHKMIZGK-UHFFFAOYSA-N
MW100.14 g/mol
LogP1.33
Rot. Bonds3

About methylidyne(propoxymethyl)azanium

methylidyne(propoxymethyl)azanium (PubChem CID 91560858) has the molecular formula C5H10NO+ and a molecular weight of 100.14 g/mol. Its IUPAC name is methylidyne(propoxymethyl)azanium.

Molecular Properties

Compound Namemethylidyne(propoxymethyl)azanium
PubChem CID91560858
Molecular FormulaC5H10NO+
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Namemethylidyne(propoxymethyl)azanium
SMILESC#[N+]COCCC
InChIInChI=1S/C5H10NO/c1-3-4-7-5-6-2/h2H,3-5H2,1H3/q+1
InChIKeyKRZOJMUHKMIZGK-UHFFFAOYSA-N
XLogP1.33
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylidyne(propoxymethyl)azanium?
The IUPAC name of methylidyne(propoxymethyl)azanium (CID 91560858) is methylidyne(propoxymethyl)azanium.
What is the SMILES notation for methylidyne(propoxymethyl)azanium?
The canonical SMILES for methylidyne(propoxymethyl)azanium is C#[N+]COCCC.
What is the InChIKey of methylidyne(propoxymethyl)azanium?
The InChIKey is KRZOJMUHKMIZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO/c1-3-4-7-5-6-2/h2H,3-5H2,1H3/q+1.
What are the key properties of methylidyne(propoxymethyl)azanium?
methylidyne(propoxymethyl)azanium has a molecular weight of 100.14 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyne(propoxymethyl)azanium is sourced from PubChem (CID 91560858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).