4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one

C13H22N2O — CID 168683645

IUPAC4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCC2CCCN2C)C1
InChIInChI=1S/C13H22N2O/c1-3-11-9-13(16)15(10-11)8-6-12-5-4-7-14(12)2/h3,11-12H,1,4-10H2,2H3
InChIKeyXXNGXARWHIPFRC-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.51
Rot. Bonds4

About 4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one

4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 168683645) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one
PubChem CID168683645
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCC2CCCN2C)C1
InChIInChI=1S/C13H22N2O/c1-3-11-9-13(16)15(10-11)8-6-12-5-4-7-14(12)2/h3,11-12H,1,4-10H2,2H3
InChIKeyXXNGXARWHIPFRC-UHFFFAOYSA-N
XLogP1.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(2-Ethenyl-4-ethylpyrrolidin-1-yl)-3-methylbutan-1-one
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1-(2-Ethenyl-3-methylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 123460857
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CID 123838917
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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one (CID 168683645) is 4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one is C=CC1CC(=O)N(CCC2CCCN2C)C1.
What is the InChIKey of 4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is XXNGXARWHIPFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-11-9-13(16)15(10-11)8-6-12-5-4-7-14(12)2/h3,11-12H,1,4-10H2,2H3.
What are the key properties of 4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one?
4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 222.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168683645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).