4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one

C13H21NO2 — CID 168685188

IUPAC4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC2(O)CCCCC2)C1
InChIInChI=1S/C13H21NO2/c1-2-11-8-12(15)14(9-11)10-13(16)6-4-3-5-7-13/h2,11,16H,1,3-10H2
InChIKeyGHXVDDQUXLYFSC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds3

About 4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one

4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one (PubChem CID 168685188) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one
PubChem CID168685188
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC2(O)CCCCC2)C1
InChIInChI=1S/C13H21NO2/c1-2-11-8-12(15)14(9-11)10-13(16)6-4-3-5-7-13/h2,11,16H,1,3-10H2
InChIKeyGHXVDDQUXLYFSC-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 168683869
4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
CID 168685186
tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate
CID 168683863
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one
CID 168685185
4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168685234
4-ethynyl-1-[(1-hydroxycyclobutyl)methyl]pyrrolidin-2-one
CID 168501543
1-(4-ethenyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 168685153
1-[3-(azepan-1-yl)propyl]-4-ethenylpyrrolidin-2-one
CID 168685223
4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one
CID 168685210
4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168685494
4-ethenyl-1-hexylpyrrolidin-2-one
CID 168684076

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one (CID 168685188) is 4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one is C=CC1CC(=O)N(CC2(O)CCCCC2)C1.
What is the InChIKey of 4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The InChIKey is GHXVDDQUXLYFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-11-8-12(15)14(9-11)10-13(16)6-4-3-5-7-13/h2,11,16H,1,3-10H2.
What are the key properties of 4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168685188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).