4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one

C15H26N2O — CID 168683593

IUPAC4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCCN2CCCCC2C)C1
InChIInChI=1S/C15H26N2O/c1-3-14-11-15(18)17(12-14)10-6-9-16-8-5-4-7-13(16)2/h3,13-14H,1,4-12H2,2H3
InChIKeyRXKZFXDPDIFKQK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.29
Rot. Bonds5

About 4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one

4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one (PubChem CID 168683593) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one
PubChem CID168683593
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCCN2CCCCC2C)C1
InChIInChI=1S/C15H26N2O/c1-3-14-11-15(18)17(12-14)10-6-9-16-8-5-4-7-13(16)2/h3,13-14H,1,4-12H2,2H3
InChIKeyRXKZFXDPDIFKQK-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

CID 14982376
CID 14982376
CID 14982377
CID 14982377
CID 14982378
CID 14982378
CID 131847324
CID 131847324
[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-(3-Ethenyl-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)-3-methylbutan-1-one
CID 123414783

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one (CID 168683593) is 4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one is C=CC1CC(=O)N(CCCN2CCCCC2C)C1.
What is the InChIKey of 4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one?
The InChIKey is RXKZFXDPDIFKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-14-11-15(18)17(12-14)10-6-9-16-8-5-4-7-13(16)2/h3,13-14H,1,4-12H2,2H3.
What are the key properties of 4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one?
4-ethenyl-1-[3-(2-methylpiperidin-1-yl)propyl]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-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 168683593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).