4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one

C12H21NO2 — CID 168685210

IUPAC4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCCCCCO)C1
InChIInChI=1S/C12H21NO2/c1-2-11-9-12(15)13(10-11)7-5-3-4-6-8-14/h2,11,14H,1,3-10H2
InChIKeyGKLICTPOJKTPPT-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.57
Rot. Bonds7

About 4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one

4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one (PubChem CID 168685210) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one
PubChem CID168685210
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCCCCCO)C1
InChIInChI=1S/C12H21NO2/c1-2-11-9-12(15)13(10-11)7-5-3-4-6-8-14/h2,11,14H,1,3-10H2
InChIKeyGKLICTPOJKTPPT-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
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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Related Compounds

4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
4-ethenyl-1-hexylpyrrolidin-2-one
CID 168684076
4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168685234
4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 168684281
1-[3-(azepan-1-yl)propyl]-4-ethenylpyrrolidin-2-one
CID 168685223
1-(6-hydroxyhexyl)-4-sulfanylpyrrolidin-2-one
CID 168709296
4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168685224
4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168504911
4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234
S-[[1-(4-hydroxybutyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667570
4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one
CID 168685200
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide
CID 168684091

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one (CID 168685210) is 4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one is C=CC1CC(=O)N(CCCCCCO)C1.
What is the InChIKey of 4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one?
The InChIKey is GKLICTPOJKTPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-11-9-12(15)13(10-11)7-5-3-4-6-8-14/h2,11,14H,1,3-10H2.
What are the key properties of 4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one?
4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one is sourced from PubChem (CID 168685210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).