dimethyl(2-prop-2-enoyloxyethyl)azanium

C7H14NO2+ — CID 6992613

IUPACdimethyl(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[NH+](C)C
InChIInChI=1S/C7H13NO2/c1-4-7(9)10-6-5-8(2)3/h4H,1,5-6H2,2-3H3/p+1
InChIKeyDPBJAVGHACCNRL-UHFFFAOYSA-O
MW144.19 g/mol
LogP-1.14
Rot. Bonds4

About dimethyl(2-prop-2-enoyloxyethyl)azanium

dimethyl(2-prop-2-enoyloxyethyl)azanium (PubChem CID 6992613) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is dimethyl(2-prop-2-enoyloxyethyl)azanium.

Molecular Properties

Compound Namedimethyl(2-prop-2-enoyloxyethyl)azanium
PubChem CID6992613
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Namedimethyl(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[NH+](C)C
InChIInChI=1S/C7H13NO2/c1-4-7(9)10-6-5-8(2)3/h4H,1,5-6H2,2-3H3/p+1
InChIKeyDPBJAVGHACCNRL-UHFFFAOYSA-O
XLogP-1.14
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(2-prop-2-enoyloxyethyl)azanium?
The IUPAC name of dimethyl(2-prop-2-enoyloxyethyl)azanium (CID 6992613) is dimethyl(2-prop-2-enoyloxyethyl)azanium.
What is the SMILES notation for dimethyl(2-prop-2-enoyloxyethyl)azanium?
The canonical SMILES for dimethyl(2-prop-2-enoyloxyethyl)azanium is C=CC(=O)OCC[NH+](C)C.
What is the InChIKey of dimethyl(2-prop-2-enoyloxyethyl)azanium?
The InChIKey is DPBJAVGHACCNRL-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO2/c1-4-7(9)10-6-5-8(2)3/h4H,1,5-6H2,2-3H3/p+1.
What are the key properties of dimethyl(2-prop-2-enoyloxyethyl)azanium?
dimethyl(2-prop-2-enoyloxyethyl)azanium has a molecular weight of 144.19 g/mol, XLogP of -1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2-prop-2-enoyloxyethyl)azanium is sourced from PubChem (CID 6992613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).