ethene;ethyl prop-2-enoate;urea

C8H16N2O3 — CID 22098038

IUPACethene;ethyl prop-2-enoate;urea
SMILESC=C.C=CC(=O)OCC.NC(N)=O
InChIInChI=1S/C5H8O2.C2H4.CH4N2O/c1-3-5(6)7-4-2;1-2;2-1(3)4/h3H,1,4H2,2H3;1-2H2;(H4,2,3,4)
InChIKeyYQRWJSTYBZLNGD-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.56
Rot. Bonds2

About ethene;ethyl prop-2-enoate;urea

ethene;ethyl prop-2-enoate;urea (PubChem CID 22098038) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethene;ethyl prop-2-enoate;urea.

Molecular Properties

Compound Nameethene;ethyl prop-2-enoate;urea
PubChem CID22098038
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethene;ethyl prop-2-enoate;urea
SMILESC=C.C=CC(=O)OCC.NC(N)=O
InChIInChI=1S/C5H8O2.C2H4.CH4N2O/c1-3-5(6)7-4-2;1-2;2-1(3)4/h3H,1,4H2,2H3;1-2H2;(H4,2,3,4)
InChIKeyYQRWJSTYBZLNGD-UHFFFAOYSA-N
XLogP0.56
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethene;ethyl prop-2-enoate;urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
chloroethene;ethene;ethyl prop-2-enoate
CID 86733401
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
ethyl prop-2-enoate;ethyl(trimethyl)azanium
CID 175893941
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
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
azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate
CID 174828535

Frequently Asked Questions

What is the IUPAC name of ethene;ethyl prop-2-enoate;urea?
The IUPAC name of ethene;ethyl prop-2-enoate;urea (CID 22098038) is ethene;ethyl prop-2-enoate;urea.
What is the SMILES notation for ethene;ethyl prop-2-enoate;urea?
The canonical SMILES for ethene;ethyl prop-2-enoate;urea is C=C.C=CC(=O)OCC.NC(N)=O.
What is the InChIKey of ethene;ethyl prop-2-enoate;urea?
The InChIKey is YQRWJSTYBZLNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C2H4.CH4N2O/c1-3-5(6)7-4-2;1-2;2-1(3)4/h3H,1,4H2,2H3;1-2H2;(H4,2,3,4).
What are the key properties of ethene;ethyl prop-2-enoate;urea?
ethene;ethyl prop-2-enoate;urea has a molecular weight of 188.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethyl prop-2-enoate;urea is sourced from PubChem (CID 22098038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).