5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one

C15H19NO2 — CID 68666373

IUPAC5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CC(c2ccc(OC)c(C)c2)NC1=O
InChIInChI=1S/C15H19NO2/c1-4-5-12-9-13(16-15(12)17)11-6-7-14(18-3)10(2)8-11/h4,6-8,12-13H,1,5,9H2,2-3H3,(H,16,17)
InChIKeyVUSOOXRKAFFEPP-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.76
Rot. Bonds4

About 5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one

5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one (PubChem CID 68666373) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one
PubChem CID68666373
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CC(c2ccc(OC)c(C)c2)NC1=O
InChIInChI=1S/C15H19NO2/c1-4-5-12-9-13(16-15(12)17)11-6-7-14(18-3)10(2)8-11/h4,6-8,12-13H,1,5,9H2,2-3H3,(H,16,17)
InChIKeyVUSOOXRKAFFEPP-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one (CID 68666373) is 5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one is C=CCC1CC(c2ccc(OC)c(C)c2)NC1=O.
What is the InChIKey of 5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one?
The InChIKey is VUSOOXRKAFFEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-5-12-9-13(16-15(12)17)11-6-7-14(18-3)10(2)8-11/h4,6-8,12-13H,1,5,9H2,2-3H3,(H,16,17).
What are the key properties of 5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one?
5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-methylphenyl)-3-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 68666373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).