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

C15H26N2O — CID 168683613

IUPAC4-ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCN2CCCCC2CC)C1
InChIInChI=1S/C15H26N2O/c1-3-13-11-15(18)17(12-13)10-9-16-8-6-5-7-14(16)4-2/h3,13-14H,1,4-12H2,2H3
InChIKeyYUCZQXGYFSXODF-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.29
Rot. Bonds5

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

4-ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one (PubChem CID 168683613) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one
PubChem CID168683613
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCN2CCCCC2CC)C1
InChIInChI=1S/C15H26N2O/c1-3-13-11-15(18)17(12-13)10-9-16-8-6-5-7-14(16)4-2/h3,13-14H,1,4-12H2,2H3
InChIKeyYUCZQXGYFSXODF-UHFFFAOYSA-N
XLogP2.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.29
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
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-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)-3-methylbutan-1-one
CID 123414783
1-(3-Ethenyl-2-azabicyclo[3.1.0]hexan-2-yl)-3-methylbutan-1-one
CID 123576410
1-[(2S,5R)-2-ethenyl-5-methylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 134421532
1-[(2S,5S)-2-ethenyl-5-ethylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 134571080
1-[(3S)-3-ethenyl-2-azabicyclo[3.1.0]hexan-2-yl]-3-methylbutan-1-one
CID 144187573
Ethane;3-methyl-1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentan-1-one;pent-1-ene
CID 171656800
1-[2-(4-Methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one
CID 71853359
1-(4-((1R,5S)-8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl)ethanone
CID 73168789
2-Amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pent-4-en-1-one
CID 81775600

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one (CID 168683613) is 4-ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one is C=CC1CC(=O)N(CCN2CCCCC2CC)C1.
What is the InChIKey of 4-ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one?
The InChIKey is YUCZQXGYFSXODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-13-11-15(18)17(12-13)10-9-16-8-6-5-7-14(16)4-2/h3,13-14H,1,4-12H2,2H3.
What are the key properties of 4-ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one?
4-ethenyl-1-[2-(2-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one has a molecular weight of 250.39 g/mol, XLogP of 2.29, 5 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-ethylpiperidin-1-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168683613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).