1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one

C15H19NO3 — CID 168684467

IUPAC1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(Cc2cc(OC)ccc2OC)C1
InChIInChI=1S/C15H19NO3/c1-4-11-7-15(17)16(9-11)10-12-8-13(18-2)5-6-14(12)19-3/h4-6,8,11H,1,7,9-10H2,2-3H3
InChIKeyIPFZNSBURVMGGT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.24
Rot. Bonds5

About 1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one

1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one (PubChem CID 168684467) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one
PubChem CID168684467
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(Cc2cc(OC)ccc2OC)C1
InChIInChI=1S/C15H19NO3/c1-4-11-7-15(17)16(9-11)10-12-8-13(18-2)5-6-14(12)19-3/h4-6,8,11H,1,7,9-10H2,2-3H3
InChIKeyIPFZNSBURVMGGT-UHFFFAOYSA-N
XLogP2.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-[[1-[(2,5-dimethoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666820
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
(4S)-4-(2,2-difluoroethenyl)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 162582964
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159314
1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one
CID 168685426
1-[(2-bromo-5-methoxyphenyl)methyl]-4-propylpyrrolidin-2-one
CID 104512444
4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168684485
4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one
CID 168684919
1-(4-bromo-2-methoxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168684449
4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159584

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one (CID 168684467) is 1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(Cc2cc(OC)ccc2OC)C1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one?
The InChIKey is IPFZNSBURVMGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-11-7-15(17)16(9-11)10-12-8-13(18-2)5-6-14(12)19-3/h4-6,8,11H,1,7,9-10H2,2-3H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one?
1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168684467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).