ethenyl 2-methylprop-2-enoate;pyrrolidin-2-one

C10H15NO3 — CID 174312684

IUPACethenyl 2-methylprop-2-enoate;pyrrolidin-2-one
SMILESC=COC(=O)C(=C)C.O=C1CCCN1
InChIInChI=1S/C6H8O2.C4H7NO/c1-4-8-6(7)5(2)3;6-4-2-1-3-5-4/h4H,1-2H2,3H3;1-3H2,(H,5,6)
InChIKeyONYBCRDYVPZBLJ-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.15
Rot. Bonds2

About ethenyl 2-methylprop-2-enoate;pyrrolidin-2-one

ethenyl 2-methylprop-2-enoate;pyrrolidin-2-one (PubChem CID 174312684) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethenyl 2-methylprop-2-enoate;pyrrolidin-2-one.

Molecular Properties

Compound Nameethenyl 2-methylprop-2-enoate;pyrrolidin-2-one
PubChem CID174312684
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethenyl 2-methylprop-2-enoate;pyrrolidin-2-one
SMILESC=COC(=O)C(=C)C.O=C1CCCN1
InChIInChI=1S/C6H8O2.C4H7NO/c1-4-8-6(7)5(2)3;6-4-2-1-3-5-4/h4H,1-2H2,3H3;1-3H2,(H,5,6)
InChIKeyONYBCRDYVPZBLJ-UHFFFAOYSA-N
XLogP1.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
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

1-Ethenylpyrrolidin-2-one;1-(methylamino)ethyl 2-methylprop-2-enoate
CID 18402718
Butyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 18702438
Methyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 19702429
Ethenyl acetate;pyrrolidin-2-one
CID 21940865
Ethyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 22435834
2-(Dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 66823266
Ethyl prop-2-enoate;pyrrolidin-2-one
CID 67427827
Ethenyl prop-2-enoate;pyrrolidin-2-one
CID 68619788
Prop-2-enyl butanoate;pyrrolidin-2-one
CID 68796095
Methyl prop-2-enoate;pyrrolidin-2-one
CID 68954032
2,2-Diaminoethyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 69609225
[3-(Butylamino)-3-oxopropyl] 2-methylprop-2-enoate;pyrrolidin-2-one
CID 70559842

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-methylprop-2-enoate;pyrrolidin-2-one?
The IUPAC name of ethenyl 2-methylprop-2-enoate;pyrrolidin-2-one (CID 174312684) is ethenyl 2-methylprop-2-enoate;pyrrolidin-2-one.
What is the SMILES notation for ethenyl 2-methylprop-2-enoate;pyrrolidin-2-one?
The canonical SMILES for ethenyl 2-methylprop-2-enoate;pyrrolidin-2-one is C=COC(=O)C(=C)C.O=C1CCCN1.
What is the InChIKey of ethenyl 2-methylprop-2-enoate;pyrrolidin-2-one?
The InChIKey is ONYBCRDYVPZBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.C4H7NO/c1-4-8-6(7)5(2)3;6-4-2-1-3-5-4/h4H,1-2H2,3H3;1-3H2,(H,5,6).
What are the key properties of ethenyl 2-methylprop-2-enoate;pyrrolidin-2-one?
ethenyl 2-methylprop-2-enoate;pyrrolidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-methylprop-2-enoate;pyrrolidin-2-one is sourced from PubChem (CID 174312684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).