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

C18H23NO — CID 168685186

IUPAC4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC2(c3ccccc3)CCCC2)C1
InChIInChI=1S/C18H23NO/c1-2-15-12-17(20)19(13-15)14-18(10-6-7-11-18)16-8-4-3-5-9-16/h2-5,8-9,15H,1,6-7,10-14H2
InChIKeyQMFXOEPOBJNDMK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.53
Rot. Bonds4

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

4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one (PubChem CID 168685186) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
PubChem CID168685186
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC2(c3ccccc3)CCCC2)C1
InChIInChI=1S/C18H23NO/c1-2-15-12-17(20)19(13-15)14-18(10-6-7-11-18)16-8-4-3-5-9-16/h2-5,8-9,15H,1,6-7,10-14H2
InChIKeyQMFXOEPOBJNDMK-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.53
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-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one
CID 168685185
4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
CID 168508191
4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one
CID 168662991
4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 168685188
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691319
1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one
CID 168685426
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 168685303
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168685350
1-[(3-chloro-2-fluorophenyl)methyl]-4-ethenylpyrrolidin-2-one
CID 168685468
4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one
CID 168508185
4-ethenyl-1-(isoquinolin-3-ylmethyl)pyrrolidin-2-one
CID 168685452

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one (CID 168685186) is 4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one is C=CC1CC(=O)N(CC2(c3ccccc3)CCCC2)C1.
What is the InChIKey of 4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one?
The InChIKey is QMFXOEPOBJNDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-15-12-17(20)19(13-15)14-18(10-6-7-11-18)16-8-4-3-5-9-16/h2-5,8-9,15H,1,6-7,10-14H2.
What are the key properties of 4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one?
4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one has a molecular weight of 269.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168685186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).