ethenyl prop-2-enoate;urea

C6H10N2O3 — CID 146453811

IUPACethenyl prop-2-enoate;urea
SMILESC=COC(=O)C=C.NC(N)=O
InChIInChI=1S/C5H6O2.CH4N2O/c1-3-5(6)7-4-2;2-1(3)4/h3-4H,1-2H2;(H4,2,3,4)
InChIKeyZKDOZACVZHPPEV-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.12
Rot. Bonds2

About ethenyl prop-2-enoate;urea

ethenyl prop-2-enoate;urea (PubChem CID 146453811) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is ethenyl prop-2-enoate;urea.

Molecular Properties

Compound Nameethenyl prop-2-enoate;urea
PubChem CID146453811
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Nameethenyl prop-2-enoate;urea
SMILESC=COC(=O)C=C.NC(N)=O
InChIInChI=1S/C5H6O2.CH4N2O/c1-3-5(6)7-4-2;2-1(3)4/h3-4H,1-2H2;(H4,2,3,4)
InChIKeyZKDOZACVZHPPEV-UHFFFAOYSA-N
XLogP-0.12
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-ethenylprop-2-enamide;octakis(ethenyl prop-2-enoate)
CID 160745155
bis(ethenyl) (Z)-but-2-enedioate;ethene
CID 174990906
(2-ethenoxy-2-oxoethyl) prop-2-enoate
CID 18411317
sodium;ethenyl carbamate;hydride
CID 174882073
prop-2-enamide;ruthenium
CID 90254548
ethene;ethyl prop-2-enoate;urea
CID 22098038
bis(ethenyl) 2-ethenylbut-2-enedioate
CID 123538046
penta-1,4-dien-3-one;urea
CID 88518142
ethenyl (2E)-penta-2,4-dienoate
CID 87528503
amino prop-2-enoate;hydrofluoride
CID 174948745
ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride
CID 88696275
(E)-3-prop-2-enoyloxyprop-2-enoic acid
CID 14647351

Frequently Asked Questions

What is the IUPAC name of ethenyl prop-2-enoate;urea?
The IUPAC name of ethenyl prop-2-enoate;urea (CID 146453811) is ethenyl prop-2-enoate;urea.
What is the SMILES notation for ethenyl prop-2-enoate;urea?
The canonical SMILES for ethenyl prop-2-enoate;urea is C=COC(=O)C=C.NC(N)=O.
What is the InChIKey of ethenyl prop-2-enoate;urea?
The InChIKey is ZKDOZACVZHPPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2.CH4N2O/c1-3-5(6)7-4-2;2-1(3)4/h3-4H,1-2H2;(H4,2,3,4).
What are the key properties of ethenyl prop-2-enoate;urea?
ethenyl prop-2-enoate;urea has a molecular weight of 158.16 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl prop-2-enoate;urea is sourced from PubChem (CID 146453811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).