methane;trimethyl(3-prop-2-enoyloxypropyl)azanium

C11H26NO2+ — CID 159005912

IUPACmethane;trimethyl(3-prop-2-enoyloxypropyl)azanium
SMILESC.C.C=CC(=O)OCCC[N+](C)(C)C
InChIInChI=1S/C9H18NO2.2CH4/c1-5-9(11)12-8-6-7-10(2,3)4;;/h5H,1,6-8H2,2-4H3;2*1H4/q+1;;
InChIKeyJRXNDZOFBPXKIR-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.08
Rot. Bonds5

About methane;trimethyl(3-prop-2-enoyloxypropyl)azanium

methane;trimethyl(3-prop-2-enoyloxypropyl)azanium (PubChem CID 159005912) has the molecular formula C11H26NO2+ and a molecular weight of 204.33 g/mol. Its IUPAC name is methane;trimethyl(3-prop-2-enoyloxypropyl)azanium.

Molecular Properties

Compound Namemethane;trimethyl(3-prop-2-enoyloxypropyl)azanium
PubChem CID159005912
Molecular FormulaC11H26NO2+
Molecular Weight204.33 g/mol
Exact Mass204.20
IUPAC Namemethane;trimethyl(3-prop-2-enoyloxypropyl)azanium
SMILESC.C.C=CC(=O)OCCC[N+](C)(C)C
InChIInChI=1S/C9H18NO2.2CH4/c1-5-9(11)12-8-6-7-10(2,3)4;;/h5H,1,6-8H2,2-4H3;2*1H4/q+1;;
InChIKeyJRXNDZOFBPXKIR-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.08
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 methane;trimethyl(3-prop-2-enoyloxypropyl)azanium?
The IUPAC name of methane;trimethyl(3-prop-2-enoyloxypropyl)azanium (CID 159005912) is methane;trimethyl(3-prop-2-enoyloxypropyl)azanium.
What is the SMILES notation for methane;trimethyl(3-prop-2-enoyloxypropyl)azanium?
The canonical SMILES for methane;trimethyl(3-prop-2-enoyloxypropyl)azanium is C.C.C=CC(=O)OCCC[N+](C)(C)C.
What is the InChIKey of methane;trimethyl(3-prop-2-enoyloxypropyl)azanium?
The InChIKey is JRXNDZOFBPXKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2.2CH4/c1-5-9(11)12-8-6-7-10(2,3)4;;/h5H,1,6-8H2,2-4H3;2*1H4/q+1;;.
What are the key properties of methane;trimethyl(3-prop-2-enoyloxypropyl)azanium?
methane;trimethyl(3-prop-2-enoyloxypropyl)azanium has a molecular weight of 204.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;trimethyl(3-prop-2-enoyloxypropyl)azanium is sourced from PubChem (CID 159005912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).