1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one

C13H20N2O2 — CID 168684017

IUPAC1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(C2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C13H20N2O2/c1-3-11-8-13(17)15(9-11)12-4-6-14(7-5-12)10(2)16/h3,11-12H,1,4-9H2,2H3
InChIKeyOJZYXKJGNXXUAI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.03
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one

1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one (PubChem CID 168684017) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one
PubChem CID168684017
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(C2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C13H20N2O2/c1-3-11-8-13(17)15(9-11)12-4-6-14(7-5-12)10(2)16/h3,11-12H,1,4-9H2,2H3
InChIKeyOJZYXKJGNXXUAI-UHFFFAOYSA-N
XLogP1.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.03
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-(2,2-Dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 56702288
3-Dodeca-1,2,3,4,5,6,7,8,9,10,11-undecaenyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 59106244
1-(3-Methylpent-4-en-2-yl)pyrrolidin-2-one
CID 66716494
3-Methyl-1-(1-methyl-2,6-dimethylidenepiperidin-4-yl)pyrrolidine-2,5-dione
CID 68392955
1-(1-Acetyl-2,6-dimethylidenepiperidin-4-yl)-3-methylpyrrolidine-2,5-dione
CID 68392956
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-(2-Ethenyl-3-methylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 123460857
1-(3-Ethenyl-2-azabicyclo[3.1.0]hexan-2-yl)-3-methylbutan-1-one
CID 123576410
1-(2-Ethenylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 123838917
1-[(2S,5R)-2-ethenyl-5-methylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 134421532
1-[(2S)-2-ethenylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 134571035

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one (CID 168684017) is 1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(C2CCN(C(C)=O)CC2)C1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one?
The InChIKey is OJZYXKJGNXXUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-11-8-13(17)15(9-11)12-4-6-14(7-5-12)10(2)16/h3,11-12H,1,4-9H2,2H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one?
1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168684017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).