4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one

C15H26N2O — CID 168683522

IUPAC4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC2CCN(CC(C)C)C2)C1
InChIInChI=1S/C15H26N2O/c1-4-13-7-15(18)17(10-13)11-14-5-6-16(9-14)8-12(2)3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyYJMPOQKHSPRNSV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.00
Rot. Bonds5

About 4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one

4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 168683522) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one
PubChem CID168683522
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC2CCN(CC(C)C)C2)C1
InChIInChI=1S/C15H26N2O/c1-4-13-7-15(18)17(10-13)11-14-5-6-16(9-14)8-12(2)3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyYJMPOQKHSPRNSV-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
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

Vinyl methylpyrrolidone
CID 21695574
3-Methyl-1-pyrrolidin-1-ylpent-4-en-1-one
CID 118493260
(4S)-4-ethenyl-1-methylpyrrolidin-2-one
CID 166445265
(2R,3R)-2-Fluoro-3-methyl-1-(pyrrolidin-1-yl)pent-4-en-1-one
CID 13545316
(2R,3S)-2-Fluoro-3-methyl-1-(pyrrolidin-1-yl)pent-4-en-1-one
CID 13545317
1-Tert-butyl-4-ethenylpyrrolidin-2-one
CID 14921341
3-Ethenyl-1-ethylpyrrolidin-2-one
CID 13847896
3-Ethenyl-1-[1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one
CID 21715934
3-Ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one
CID 22475702
1-But-3-enyl-3-ethenylpyrrolidin-2-one
CID 54284974
1-(3-Methylpent-4-en-2-yl)pyrrolidin-2-one
CID 66716494
3-Ethenyl-1-ethyl-1-methylpyrrolidin-1-ium-2-one
CID 66893154

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one (CID 168683522) is 4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one is C=CC1CC(=O)N(CC2CCN(CC(C)C)C2)C1.
What is the InChIKey of 4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is YJMPOQKHSPRNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-13-7-15(18)17(10-13)11-14-5-6-16(9-14)8-12(2)3/h4,12-14H,1,5-11H2,2-3H3.
What are the key properties of 4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one?
4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 250.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 168683522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).