ethenyl 2-methylprop-2-enoate isocyanate

C7H8NO3- — CID 22239289

IUPACethenyl 2-methylprop-2-enoate isocyanate
SMILESC=COC(=O)C(=C)C.[N-]=C=O
InChIInChI=1S/C6H8O2.CNO/c1-4-8-6(7)5(2)3;2-1-3/h4H,1-2H2,3H3;/q;-1
InChIKeyFKQGMJLGKOKDSF-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.14
Rot. Bonds2

About ethenyl 2-methylprop-2-enoate isocyanate

ethenyl 2-methylprop-2-enoate isocyanate (PubChem CID 22239289) has the molecular formula C7H8NO3- and a molecular weight of 154.14 g/mol. Its IUPAC name is ethenyl 2-methylprop-2-enoate isocyanate.

Molecular Properties

Compound Nameethenyl 2-methylprop-2-enoate isocyanate
PubChem CID22239289
Molecular FormulaC7H8NO3-
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC Nameethenyl 2-methylprop-2-enoate isocyanate
SMILESC=COC(=O)C(=C)C.[N-]=C=O
InChIInChI=1S/C6H8O2.CNO/c1-4-8-6(7)5(2)3;2-1-3/h4H,1-2H2,3H3;/q;-1
InChIKeyFKQGMJLGKOKDSF-UHFFFAOYSA-N
XLogP1.14
TPSA65.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate)
CID 87949596
ethenyl acetate;methyl 2-methylprop-2-enoate
CID 22003389
ethenyl 2-methylbuta-2,3-dienoate
CID 174869086
ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one
CID 174989459
2-methylprop-2-enoate isocyanate
CID 86653408
[(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate
CID 139627237
ethenyl acetate
CID 7904
ethenyl 2-methyl-3-silylprop-2-enoate
CID 173461885
bis(ethenyl) (Z)-2-methylbut-2-enedioate
CID 11819677
4-ethenoxy-2-methylhexa-1,4-dien-3-one
CID 123413127
ethenyl acetate;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 159266076
ethenyl 2-methyl-4-oxobut-2-enoate
CID 123561703

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-methylprop-2-enoate isocyanate?
The IUPAC name of ethenyl 2-methylprop-2-enoate isocyanate (CID 22239289) is ethenyl 2-methylprop-2-enoate isocyanate.
What is the SMILES notation for ethenyl 2-methylprop-2-enoate isocyanate?
The canonical SMILES for ethenyl 2-methylprop-2-enoate isocyanate is C=COC(=O)C(=C)C.[N-]=C=O.
What is the InChIKey of ethenyl 2-methylprop-2-enoate isocyanate?
The InChIKey is FKQGMJLGKOKDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.CNO/c1-4-8-6(7)5(2)3;2-1-3/h4H,1-2H2,3H3;/q;-1.
What are the key properties of ethenyl 2-methylprop-2-enoate isocyanate?
ethenyl 2-methylprop-2-enoate isocyanate has a molecular weight of 154.14 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-methylprop-2-enoate isocyanate is sourced from PubChem (CID 22239289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).