trimethyl-[(5-oxooxolan-2-yl)methyl]azanium

C8H16NO2+ — CID 10331744

IUPACtrimethyl-[(5-oxooxolan-2-yl)methyl]azanium
SMILESC[N+](C)(C)CC1CCC(=O)O1
InChIInChI=1S/C8H16NO2/c1-9(2,3)6-7-4-5-8(10)11-7/h7H,4-6H2,1-3H3/q+1
InChIKeyPADVHVIPKZZYSY-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.40
Rot. Bonds2

About trimethyl-[(5-oxooxolan-2-yl)methyl]azanium

trimethyl-[(5-oxooxolan-2-yl)methyl]azanium (PubChem CID 10331744) has the molecular formula C8H16NO2+ and a molecular weight of 158.22 g/mol. Its IUPAC name is trimethyl-[(5-oxooxolan-2-yl)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(5-oxooxolan-2-yl)methyl]azanium
PubChem CID10331744
Molecular FormulaC8H16NO2+
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Nametrimethyl-[(5-oxooxolan-2-yl)methyl]azanium
SMILESC[N+](C)(C)CC1CCC(=O)O1
InChIInChI=1S/C8H16NO2/c1-9(2,3)6-7-4-5-8(10)11-7/h7H,4-6H2,1-3H3/q+1
InChIKeyPADVHVIPKZZYSY-UHFFFAOYSA-N
XLogP0.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(5-oxooxolan-2-yl)methyl]azanium?
The IUPAC name of trimethyl-[(5-oxooxolan-2-yl)methyl]azanium (CID 10331744) is trimethyl-[(5-oxooxolan-2-yl)methyl]azanium.
What is the SMILES notation for trimethyl-[(5-oxooxolan-2-yl)methyl]azanium?
The canonical SMILES for trimethyl-[(5-oxooxolan-2-yl)methyl]azanium is C[N+](C)(C)CC1CCC(=O)O1.
What is the InChIKey of trimethyl-[(5-oxooxolan-2-yl)methyl]azanium?
The InChIKey is PADVHVIPKZZYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2/c1-9(2,3)6-7-4-5-8(10)11-7/h7H,4-6H2,1-3H3/q+1.
What are the key properties of trimethyl-[(5-oxooxolan-2-yl)methyl]azanium?
trimethyl-[(5-oxooxolan-2-yl)methyl]azanium has a molecular weight of 158.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(5-oxooxolan-2-yl)methyl]azanium is sourced from PubChem (CID 10331744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).