3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one

C18H28N2O2 — CID 22475702

IUPAC3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one
SMILESC=CC1CCN(CCCCCCN2CCC(C=C)C2=O)C1=O
InChIInChI=1S/C18H28N2O2/c1-3-15-9-13-19(17(15)21)11-7-5-6-8-12-20-14-10-16(4-2)18(20)22/h3-4,15-16H,1-2,5-14H2
InChIKeyDSWAQZBIVDRGLP-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.62
Rot. Bonds9

About 3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one

3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one (PubChem CID 22475702) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one
PubChem CID22475702
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one
SMILESC=CC1CCN(CCCCCCN2CCC(C=C)C2=O)C1=O
InChIInChI=1S/C18H28N2O2/c1-3-15-9-13-19(17(15)21)11-7-5-6-8-12-20-14-10-16(4-2)18(20)22/h3-4,15-16H,1-2,5-14H2
InChIKeyDSWAQZBIVDRGLP-UHFFFAOYSA-N
XLogP2.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one?
The IUPAC name of 3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one (CID 22475702) is 3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one.
What is the SMILES notation for 3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one?
The canonical SMILES for 3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one is C=CC1CCN(CCCCCCN2CCC(C=C)C2=O)C1=O.
What is the InChIKey of 3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one?
The InChIKey is DSWAQZBIVDRGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-15-9-13-19(17(15)21)11-7-5-6-8-12-20-14-10-16(4-2)18(20)22/h3-4,15-16H,1-2,5-14H2.
What are the key properties of 3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one?
3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one has a molecular weight of 304.43 g/mol, XLogP of 2.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-[6-(3-ethenyl-2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one is sourced from PubChem (CID 22475702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).