ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one

C12H17NO3 — CID 174989459

IUPACethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one
SMILESC=CN1CCCC1=O.C=COC(=O)C(=C)C
InChIInChI=1S/C6H9NO.C6H8O2/c1-2-7-5-3-4-6(7)8;1-4-8-6(7)5(2)3/h2H,1,3-5H2;4H,1-2H2,3H3
InChIKeyOSAAIWGCQSVTTM-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.00
Rot. Bonds3

About ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one

ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one (PubChem CID 174989459) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Nameethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one
PubChem CID174989459
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one
SMILESC=CN1CCCC1=O.C=COC(=O)C(=C)C
InChIInChI=1S/C6H9NO.C6H8O2/c1-2-7-5-3-4-6(7)8;1-4-8-6(7)5(2)3/h2H,1,3-5H2;4H,1-2H2,3H3
InChIKeyOSAAIWGCQSVTTM-UHFFFAOYSA-N
XLogP2.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
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

azane;ethenyl acetate;1-ethenylpyrrolidin-2-one
CID 172909616
tert-butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one
CID 174397368
1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid
CID 22610349
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CID 19798230
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CID 70559342
1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one
CID 22992740
1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide
CID 66617082
ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 174310290
bis(prop-2-enyl) (Z)-but-2-enedioate;1-ethenylpyrrolidin-2-one
CID 70547170
1-ethenylpyrrolidin-2-one;2-(2-hydroxyethoxy)ethanol
CID 174919538
1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid
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ethenyl 2-methylprop-2-enoate isocyanate
CID 22239289

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one?
The IUPAC name of ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one (CID 174989459) is ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one?
The canonical SMILES for ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one is C=CN1CCCC1=O.C=COC(=O)C(=C)C.
What is the InChIKey of ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one?
The InChIKey is OSAAIWGCQSVTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C6H8O2/c1-2-7-5-3-4-6(7)8;1-4-8-6(7)5(2)3/h2H,1,3-5H2;4H,1-2H2,3H3.
What are the key properties of ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one?
ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one has a molecular weight of 223.27 g/mol, XLogP of 2.00, 3 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;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 174989459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).