4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one

C14H25NO — CID 168683622

IUPAC4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC(CC)CCCC)C1
InChIInChI=1S/C14H25NO/c1-4-7-8-12(5-2)10-15-11-13(6-3)9-14(15)16/h6,12-13H,3-5,7-11H2,1-2H3
InChIKeyUDUXDMOVXGOYMC-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.24
Rot. Bonds7

About 4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one

4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one (PubChem CID 168683622) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one
PubChem CID168683622
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC(CC)CCCC)C1
InChIInChI=1S/C14H25NO/c1-4-7-8-12(5-2)10-15-11-13(6-3)9-14(15)16/h6,12-13H,3-5,7-11H2,1-2H3
InChIKeyUDUXDMOVXGOYMC-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-hexylpyrrolidin-2-one
CID 168684076
[1-(2-ethylhexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674809
1-(2-ethylhexyl)-6-oxopiperidine-3-carboxylic acid
CID 62216405
[1-(2-ethylhexyl)-5-oxopyrrolidin-3-yl] pentanoate
CID 174696652
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
3-amino-1-(2-ethylhexyl)azetidin-2-one
CID 107819375
3-(2-ethylhexyl)imidazolidin-4-one
CID 107819301
1-(2-ethylhexyl)azepan-2-one
CID 15001204
1-(2-ethylhexyl)imidazolidin-2-one
CID 107819225
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide
CID 168684091
4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one
CID 168685210
4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168685234

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one (CID 168683622) is 4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one is C=CC1CC(=O)N(CC(CC)CCCC)C1.
What is the InChIKey of 4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one?
The InChIKey is UDUXDMOVXGOYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-7-8-12(5-2)10-15-11-13(6-3)9-14(15)16/h6,12-13H,3-5,7-11H2,1-2H3.
What are the key properties of 4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one?
4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one is sourced from PubChem (CID 168683622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).