4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one

C14H22N2O — CID 168683447

IUPAC4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C2CC3CCC(C2)N3C)C1
InChIInChI=1S/C14H22N2O/c1-3-10-6-14(17)16(9-10)13-7-11-4-5-12(8-13)15(11)2/h3,10-13H,1,4-9H2,2H3
InChIKeyBFENUDADSYUVNG-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.65
Rot. Bonds2

About 4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one

4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one (PubChem CID 168683447) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one
PubChem CID168683447
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C2CC3CCC(C2)N3C)C1
InChIInChI=1S/C14H22N2O/c1-3-10-6-14(17)16(9-10)13-7-11-4-5-12(8-13)15(11)2/h3,10-13H,1,4-9H2,2H3
InChIKeyBFENUDADSYUVNG-UHFFFAOYSA-N
XLogP1.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.65
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

tert-butyl (1R,5S)-3-(4-ethenyl-2-oxopyrrolidin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 168683427
1-[2-(2,6-Dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168683442
4-Ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one
CID 168683593
4-Ethenyl-1-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidin-2-one
CID 168683594
4-Ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one
CID 168683613
4-Ethenyl-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-one
CID 168683632
4-Ethenyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrrolidin-2-one
CID 168683645
1-[(1-Cyclopentylpiperidin-3-yl)methyl]-4-ethenylpyrrolidin-2-one
CID 168683770
4-Ethenyl-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 168683974
1-(1-Acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one
CID 168684017
4-Ethenyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one
CID 168684086
4-Ethenyl-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one
CID 168684117

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one (CID 168683447) is 4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one is C=CC1CC(=O)N(C2CC3CCC(C2)N3C)C1.
What is the InChIKey of 4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one?
The InChIKey is BFENUDADSYUVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-10-6-14(17)16(9-10)13-7-11-4-5-12(8-13)15(11)2/h3,10-13H,1,4-9H2,2H3.
What are the key properties of 4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one?
4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one has a molecular weight of 234.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 168683447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).