1-ethenylpyrrolidin-2-one;methoxyethene

C9H15NO2 — CID 18359661

IUPAC1-ethenylpyrrolidin-2-one;methoxyethene
SMILESC=CN1CCCC1=O.C=COC
InChIInChI=1S/C6H9NO.C3H6O/c1-2-7-5-3-4-6(7)8;1-3-4-2/h2H,1,3-5H2;3H,1H2,2H3
InChIKeyTVMJXEYKWUCLMM-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.53
Rot. Bonds2

About 1-ethenylpyrrolidin-2-one;methoxyethene

1-ethenylpyrrolidin-2-one;methoxyethene (PubChem CID 18359661) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;methoxyethene.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;methoxyethene
PubChem CID18359661
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-ethenylpyrrolidin-2-one;methoxyethene
SMILESC=CN1CCCC1=O.C=COC
InChIInChI=1S/C6H9NO.C3H6O/c1-2-7-5-3-4-6(7)8;1-3-4-2/h2H,1,3-5H2;3H,1H2,2H3
InChIKeyTVMJXEYKWUCLMM-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;methoxyethene?
The IUPAC name of 1-ethenylpyrrolidin-2-one;methoxyethene (CID 18359661) is 1-ethenylpyrrolidin-2-one;methoxyethene.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;methoxyethene?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;methoxyethene is C=CN1CCCC1=O.C=COC.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;methoxyethene?
The InChIKey is TVMJXEYKWUCLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C3H6O/c1-2-7-5-3-4-6(7)8;1-3-4-2/h2H,1,3-5H2;3H,1H2,2H3.
What are the key properties of 1-ethenylpyrrolidin-2-one;methoxyethene?
1-ethenylpyrrolidin-2-one;methoxyethene has a molecular weight of 169.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;methoxyethene is sourced from PubChem (CID 18359661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).