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

C14H24N2O — CID 168683594

IUPAC4-ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCN2CCCCC2C)C1
InChIInChI=1S/C14H24N2O/c1-3-13-10-14(17)16(11-13)9-8-15-7-5-4-6-12(15)2/h3,12-13H,1,4-11H2,2H3
InChIKeyKDGLMBLOGLSCMS-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.90
Rot. Bonds4

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

4-ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one (PubChem CID 168683594) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one
PubChem CID168683594
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCN2CCCCC2C)C1
InChIInChI=1S/C14H24N2O/c1-3-13-10-14(17)16(11-13)9-8-15-7-5-4-6-12(15)2/h3,12-13H,1,4-11H2,2H3
InChIKeyKDGLMBLOGLSCMS-UHFFFAOYSA-N
XLogP1.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.90
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

1-[2-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 125139009
CID 14982376
CID 14982376
CID 14982377
CID 14982377
CID 14982378
CID 14982378
CID 131847324
CID 131847324
[1-(2,2-Dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 56702288
1-(3-Methylpent-4-en-2-yl)pyrrolidin-2-one
CID 66716494
3-Ethenyl-1-hexylpyrrolidin-2-one
CID 68985602
3-Methyl-1-[3-(4-prop-2-enylpiperazin-1-yl)hex-5-enyl]pyrrolidine-2,5-dione
CID 69719035
1-(3-Ethenyl-2-azabicyclo[3.1.0]hexan-2-yl)-3-methylbutan-1-one
CID 123576410
1-(2-Ethenyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutan-1-one
CID 123665743
1-(2-Ethenylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 123838917

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one (CID 168683594) is 4-ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one is C=CC1CC(=O)N(CCN2CCCCC2C)C1.
What is the InChIKey of 4-ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one?
The InChIKey is KDGLMBLOGLSCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-13-10-14(17)16(11-13)9-8-15-7-5-4-6-12(15)2/h3,12-13H,1,4-11H2,2H3.
What are the key properties of 4-ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one?
4-ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one has a molecular weight of 236.36 g/mol, XLogP of 1.90, 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-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168683594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).