ethyl prop-2-enoate;ethyl(trimethyl)azanium

C10H22NO2+ — CID 175893941

IUPACethyl prop-2-enoate;ethyl(trimethyl)azanium
SMILESC=CC(=O)OCC.CC[N+](C)(C)C
InChIInChI=1S/C5H14N.C5H8O2/c1-5-6(2,3)4;1-3-5(6)7-4-2/h5H2,1-4H3;3H,1,4H2,2H3/q+1;
InChIKeyDPXMUZUNNWLEOV-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.45
Rot. Bonds3

About ethyl prop-2-enoate;ethyl(trimethyl)azanium

ethyl prop-2-enoate;ethyl(trimethyl)azanium (PubChem CID 175893941) has the molecular formula C10H22NO2+ and a molecular weight of 188.29 g/mol. Its IUPAC name is ethyl prop-2-enoate;ethyl(trimethyl)azanium.

Molecular Properties

Compound Nameethyl prop-2-enoate;ethyl(trimethyl)azanium
PubChem CID175893941
Molecular FormulaC10H22NO2+
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Nameethyl prop-2-enoate;ethyl(trimethyl)azanium
SMILESC=CC(=O)OCC.CC[N+](C)(C)C
InChIInChI=1S/C5H14N.C5H8O2/c1-5-6(2,3)4;1-3-5(6)7-4-2/h5H2,1-4H3;3H,1,4H2,2H3/q+1;
InChIKeyDPXMUZUNNWLEOV-UHFFFAOYSA-N
XLogP1.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethyl prop-2-enoate;sulfane
CID 157093783
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ethyl prop-2-enoate;hydrochloride
CID 87359594
ethene;ethyl prop-2-enoate;urea
CID 22098038
chloroethene;ethene;ethyl prop-2-enoate
CID 86733401
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
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CID 174936944
ethyl prop-2-enoate;methylimino(oxo)methane
CID 160786021
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate
CID 174581308
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Frequently Asked Questions

What is the IUPAC name of ethyl prop-2-enoate;ethyl(trimethyl)azanium?
The IUPAC name of ethyl prop-2-enoate;ethyl(trimethyl)azanium (CID 175893941) is ethyl prop-2-enoate;ethyl(trimethyl)azanium.
What is the SMILES notation for ethyl prop-2-enoate;ethyl(trimethyl)azanium?
The canonical SMILES for ethyl prop-2-enoate;ethyl(trimethyl)azanium is C=CC(=O)OCC.CC[N+](C)(C)C.
What is the InChIKey of ethyl prop-2-enoate;ethyl(trimethyl)azanium?
The InChIKey is DPXMUZUNNWLEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N.C5H8O2/c1-5-6(2,3)4;1-3-5(6)7-4-2/h5H2,1-4H3;3H,1,4H2,2H3/q+1;.
What are the key properties of ethyl prop-2-enoate;ethyl(trimethyl)azanium?
ethyl prop-2-enoate;ethyl(trimethyl)azanium has a molecular weight of 188.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enoate;ethyl(trimethyl)azanium is sourced from PubChem (CID 175893941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).