1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one

C15H26N2O — CID 168683442

IUPAC1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCN2C(C)CCCC2C)C1
InChIInChI=1S/C15H26N2O/c1-4-14-10-15(18)16(11-14)8-9-17-12(2)6-5-7-13(17)3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyBGGGNVARTMQXIC-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.28
Rot. Bonds4

About 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one

1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one (PubChem CID 168683442) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one
PubChem CID168683442
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCN2C(C)CCCC2C)C1
InChIInChI=1S/C15H26N2O/c1-4-14-10-15(18)16(11-14)8-9-17-12(2)6-5-7-13(17)3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyBGGGNVARTMQXIC-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.28
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 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one (CID 168683442) is 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(CCN2C(C)CCCC2C)C1.
What is the InChIKey of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one?
The InChIKey is BGGGNVARTMQXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-14-10-15(18)16(11-14)8-9-17-12(2)6-5-7-13(17)3/h4,12-14H,1,5-11H2,2-3H3.
What are the key properties of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one?
1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one has a molecular weight of 250.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168683442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).