trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium

C10H20NO2+ — CID 6454143

IUPACtrimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
SMILESC=C(C)C(=O)OCCC[N+](C)(C)C
InChIInChI=1S/C10H20NO2/c1-9(2)10(12)13-8-6-7-11(3,4)5/h1,6-8H2,2-5H3/q+1
InChIKeyXVIGJPONQXWIOK-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.20
Rot. Bonds5

About trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium

trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium (PubChem CID 6454143) has the molecular formula C10H20NO2+ and a molecular weight of 186.27 g/mol. Its IUPAC name is trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
PubChem CID6454143
Molecular FormulaC10H20NO2+
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Nametrimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
SMILESC=C(C)C(=O)OCCC[N+](C)(C)C
InChIInChI=1S/C10H20NO2/c1-9(2)10(12)13-8-6-7-11(3,4)5/h1,6-8H2,2-5H3/q+1
InChIKeyXVIGJPONQXWIOK-UHFFFAOYSA-N
XLogP1.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-[3-(2-methylprop-2-enoyloxy)propyl]azanium?
The IUPAC name of trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium (CID 6454143) is trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium.
What is the SMILES notation for trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium?
The canonical SMILES for trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium is C=C(C)C(=O)OCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium?
The InChIKey is XVIGJPONQXWIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO2/c1-9(2)10(12)13-8-6-7-11(3,4)5/h1,6-8H2,2-5H3/q+1.
What are the key properties of trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium?
trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium has a molecular weight of 186.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium is sourced from PubChem (CID 6454143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).