4-ethenyl-1-hexylpyrrolidin-2-one

C12H21NO — CID 168684076

IUPAC4-ethenyl-1-hexylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCCCCC)C1
InChIInChI=1S/C12H21NO/c1-3-5-6-7-8-13-10-11(4-2)9-12(13)14/h4,11H,2-3,5-10H2,1H3
InChIKeyIOAHJJILTLNHBY-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds6

About 4-ethenyl-1-hexylpyrrolidin-2-one

4-ethenyl-1-hexylpyrrolidin-2-one (PubChem CID 168684076) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-ethenyl-1-hexylpyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-hexylpyrrolidin-2-one
PubChem CID168684076
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-ethenyl-1-hexylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCCCCC)C1
InChIInChI=1S/C12H21NO/c1-3-5-6-7-8-13-10-11(4-2)9-12(13)14/h4,11H,2-3,5-10H2,1H3
InChIKeyIOAHJJILTLNHBY-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one
CID 168685210
4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 168684281
4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168685234
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
4-chloro-1-hexylpyrrolidin-2-one
CID 168687403
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one
CID 168683622
4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
4-(chloromethyl)-1-nonylpyrrolidin-2-one
CID 168507077
1-[3-(azepan-1-yl)propyl]-4-ethenylpyrrolidin-2-one
CID 168685223
sodium 1-octadecyl-5-oxopyrrolidine-3-carboxylate
CID 23662612

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-hexylpyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-hexylpyrrolidin-2-one (CID 168684076) is 4-ethenyl-1-hexylpyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-hexylpyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-hexylpyrrolidin-2-one is C=CC1CC(=O)N(CCCCCC)C1.
What is the InChIKey of 4-ethenyl-1-hexylpyrrolidin-2-one?
The InChIKey is IOAHJJILTLNHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-6-7-8-13-10-11(4-2)9-12(13)14/h4,11H,2-3,5-10H2,1H3.
What are the key properties of 4-ethenyl-1-hexylpyrrolidin-2-one?
4-ethenyl-1-hexylpyrrolidin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-hexylpyrrolidin-2-one is sourced from PubChem (CID 168684076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).