4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one

C14H17NO3 — CID 164576183

IUPAC4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one
SMILESC=CC1NC(=O)CC1c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H17NO3/c1-4-11-10(8-14(16)15-11)9-5-6-12(17-2)13(7-9)18-3/h4-7,10-11H,1,8H2,2-3H3,(H,15,16)
InChIKeyQNHORNRBACIESC-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.86
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one

4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one (PubChem CID 164576183) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one
PubChem CID164576183
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one
SMILESC=CC1NC(=O)CC1c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H17NO3/c1-4-11-10(8-14(16)15-11)9-5-6-12(17-2)13(7-9)18-3/h4-7,10-11H,1,8H2,2-3H3,(H,15,16)
InChIKeyQNHORNRBACIESC-UHFFFAOYSA-N
XLogP1.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one (CID 164576183) is 4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one is C=CC1NC(=O)CC1c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one?
The InChIKey is QNHORNRBACIESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-11-10(8-14(16)15-11)9-5-6-12(17-2)13(7-9)18-3/h4-7,10-11H,1,8H2,2-3H3,(H,15,16).
What are the key properties of 4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one?
4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-5-ethenylpyrrolidin-2-one is sourced from PubChem (CID 164576183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).