1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one

C15H19NO3 — CID 168684671

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(OC)c(OC)cc2C)C1
InChIInChI=1S/C15H19NO3/c1-5-11-7-15(17)16(9-11)12-8-14(19-4)13(18-3)6-10(12)2/h5-6,8,11H,1,7,9H2,2-4H3
InChIKeyFZIZEZGVYIBNQM-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.55
Rot. Bonds4

About 1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one

1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168684671) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one
PubChem CID168684671
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(OC)c(OC)cc2C)C1
InChIInChI=1S/C15H19NO3/c1-5-11-7-15(17)16(9-11)12-8-14(19-4)13(18-3)6-10(12)2/h5-6,8,11H,1,7,9H2,2-4H3
InChIKeyFZIZEZGVYIBNQM-UHFFFAOYSA-N
XLogP2.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.55
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

1-(4,5-dimethoxy-2-methylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670353
1-(4-bromo-2-methoxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168684449
1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684817
1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
1-(4-bromo-5-fluoro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684664
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717594
[1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675862
1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684654
1-(2,4-dibromo-6-methoxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168684549
4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
CID 168684826
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
1-(2-amino-4-bromo-5-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684699

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one (CID 168684671) is 1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cc(OC)c(OC)cc2C)C1.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is FZIZEZGVYIBNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-5-11-7-15(17)16(9-11)12-8-14(19-4)13(18-3)6-10(12)2/h5-6,8,11H,1,7,9H2,2-4H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one?
1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168684671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).