1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

C16H23NO5 — CID 131713957

IUPAC1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(=C)C.C=CN1CCCC1=O
InChIInChI=1S/C10H14O4.C6H9NO/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-2-7-5-3-4-6(7)8/h1,3,5-6H2,2,4H3;2H,1,3-5H2
InChIKeyFYCTWTMQDACKQC-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.98
Rot. Bonds6

About 1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (PubChem CID 131713957) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
PubChem CID131713957
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(=C)C.C=CN1CCCC1=O
InChIInChI=1S/C10H14O4.C6H9NO/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-2-7-5-3-4-6(7)8/h1,3,5-6H2,2,4H3;2H,1,3-5H2
InChIKeyFYCTWTMQDACKQC-UHFFFAOYSA-N
XLogP1.98
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (CID 131713957) is 1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)C(=C)C.C=CN1CCCC1=O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is FYCTWTMQDACKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.C6H9NO/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-2-7-5-3-4-6(7)8/h1,3,5-6H2,2,4H3;2H,1,3-5H2.
What are the key properties of 1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 309.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 131713957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).