ethenamine;ethyl prop-2-enoate

C7H13NO2 — CID 22022699

IUPACethenamine;ethyl prop-2-enoate
SMILESC=CC(=O)OCC.C=CN
InChIInChI=1S/C5H8O2.C2H5N/c1-3-5(6)7-4-2;1-2-3/h3H,1,4H2,2H3;2H,1,3H2
InChIKeyHPXCIQZLDXNVTN-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.82
Rot. Bonds2

About ethenamine;ethyl prop-2-enoate

ethenamine;ethyl prop-2-enoate (PubChem CID 22022699) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethenamine;ethyl prop-2-enoate.

Molecular Properties

Compound Nameethenamine;ethyl prop-2-enoate
PubChem CID22022699
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethenamine;ethyl prop-2-enoate
SMILESC=CC(=O)OCC.C=CN
InChIInChI=1S/C5H8O2.C2H5N/c1-3-5(6)7-4-2;1-2-3/h3H,1,4H2,2H3;2H,1,3H2
InChIKeyHPXCIQZLDXNVTN-UHFFFAOYSA-N
XLogP0.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
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
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
ethyl prop-2-enoate;ethyl(trimethyl)azanium
CID 175893941
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
azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate
CID 174828535

Frequently Asked Questions

What is the IUPAC name of ethenamine;ethyl prop-2-enoate?
The IUPAC name of ethenamine;ethyl prop-2-enoate (CID 22022699) is ethenamine;ethyl prop-2-enoate.
What is the SMILES notation for ethenamine;ethyl prop-2-enoate?
The canonical SMILES for ethenamine;ethyl prop-2-enoate is C=CC(=O)OCC.C=CN.
What is the InChIKey of ethenamine;ethyl prop-2-enoate?
The InChIKey is HPXCIQZLDXNVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C2H5N/c1-3-5(6)7-4-2;1-2-3/h3H,1,4H2,2H3;2H,1,3H2.
What are the key properties of ethenamine;ethyl prop-2-enoate?
ethenamine;ethyl prop-2-enoate has a molecular weight of 143.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenamine;ethyl prop-2-enoate is sourced from PubChem (CID 22022699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).