3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one

C20H23NO — CID 59741259

IUPAC3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCc1ccc(CC2CCN(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C20H23NO/c1-16-7-9-18(10-8-16)15-19-12-14-21(20(19)22)13-11-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3
InChIKeyZKBXLDPLZVQDGC-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.63
Rot. Bonds5

About 3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one

3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 59741259) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID59741259
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCc1ccc(CC2CCN(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C20H23NO/c1-16-7-9-18(10-8-16)15-19-12-14-21(20(19)22)13-11-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3
InChIKeyZKBXLDPLZVQDGC-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one (CID 59741259) is 3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one is Cc1ccc(CC2CCN(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is ZKBXLDPLZVQDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-16-7-9-18(10-8-16)15-19-12-14-21(20(19)22)13-11-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one?
3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 293.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 59741259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).