5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one

C19H21NO3 — CID 3024927

IUPAC5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one
SMILESCOc1ccc(CC2CC(c3ccccc3)C(=O)N2)cc1OC
InChIInChI=1S/C19H21NO3/c1-22-17-9-8-13(11-18(17)23-2)10-15-12-16(19(21)20-15)14-6-4-3-5-7-14/h3-9,11,15-16H,10,12H2,1-2H3,(H,20,21)
InChIKeyAYQOTQPAHNJUAC-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.92
Rot. Bonds5

About 5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one

5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one (PubChem CID 3024927) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one
PubChem CID3024927
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one
SMILESCOc1ccc(CC2CC(c3ccccc3)C(=O)N2)cc1OC
InChIInChI=1S/C19H21NO3/c1-22-17-9-8-13(11-18(17)23-2)10-15-12-16(19(21)20-15)14-6-4-3-5-7-14/h3-9,11,15-16H,10,12H2,1-2H3,(H,20,21)
InChIKeyAYQOTQPAHNJUAC-UHFFFAOYSA-N
XLogP2.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one (CID 3024927) is 5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one is COc1ccc(CC2CC(c3ccccc3)C(=O)N2)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one?
The InChIKey is AYQOTQPAHNJUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-17-9-8-13(11-18(17)23-2)10-15-12-16(19(21)20-15)14-6-4-3-5-7-14/h3-9,11,15-16H,10,12H2,1-2H3,(H,20,21).
What are the key properties of 5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one?
5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methyl]-3-phenylpyrrolidin-2-one is sourced from PubChem (CID 3024927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).