trimethyl(prop-2-enoxymethyl)azanium

C7H16NO+ — CID 3026349

IUPACtrimethyl(prop-2-enoxymethyl)azanium
SMILESC=CCOC[N+](C)(C)C
InChIInChI=1S/C7H16NO/c1-5-6-9-7-8(2,3)4/h5H,1,6-7H2,2-4H3/q+1
InChIKeySDEWWRKENUQQTP-UHFFFAOYSA-N
MW130.21 g/mol
LogP0.85
Rot. Bonds4

About trimethyl(prop-2-enoxymethyl)azanium

trimethyl(prop-2-enoxymethyl)azanium (PubChem CID 3026349) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is trimethyl(prop-2-enoxymethyl)azanium.

Molecular Properties

Compound Nametrimethyl(prop-2-enoxymethyl)azanium
PubChem CID3026349
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Nametrimethyl(prop-2-enoxymethyl)azanium
SMILESC=CCOC[N+](C)(C)C
InChIInChI=1S/C7H16NO/c1-5-6-9-7-8(2,3)4/h5H,1,6-7H2,2-4H3/q+1
InChIKeySDEWWRKENUQQTP-UHFFFAOYSA-N
XLogP0.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl(prop-2-enoxymethyl)azanium?
The IUPAC name of trimethyl(prop-2-enoxymethyl)azanium (CID 3026349) is trimethyl(prop-2-enoxymethyl)azanium.
What is the SMILES notation for trimethyl(prop-2-enoxymethyl)azanium?
The canonical SMILES for trimethyl(prop-2-enoxymethyl)azanium is C=CCOC[N+](C)(C)C.
What is the InChIKey of trimethyl(prop-2-enoxymethyl)azanium?
The InChIKey is SDEWWRKENUQQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO/c1-5-6-9-7-8(2,3)4/h5H,1,6-7H2,2-4H3/q+1.
What are the key properties of trimethyl(prop-2-enoxymethyl)azanium?
trimethyl(prop-2-enoxymethyl)azanium has a molecular weight of 130.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(prop-2-enoxymethyl)azanium is sourced from PubChem (CID 3026349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).