(3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

C21H25NO — CID 59741264

IUPAC(3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESCc1ccccc1CC[C@H]1CCN([C@@H](C)c2ccccc2)C1=O
InChIInChI=1S/C21H25NO/c1-16-8-6-7-9-18(16)12-13-20-14-15-22(21(20)23)17(2)19-10-4-3-5-11-19/h3-11,17,20H,12-15H2,1-2H3/t17-,20-/m0/s1
InChIKeyQPGRDKYHEYCWBH-PXNSSMCTSA-N
MW307.44 g/mol
LogP4.54
Rot. Bonds5

About (3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

(3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 59741264) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is (3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
PubChem CID59741264
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name(3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESCc1ccccc1CC[C@H]1CCN([C@@H](C)c2ccccc2)C1=O
InChIInChI=1S/C21H25NO/c1-16-8-6-7-9-18(16)12-13-20-14-15-22(21(20)23)17(2)19-10-4-3-5-11-19/h3-11,17,20H,12-15H2,1-2H3/t17-,20-/m0/s1
InChIKeyQPGRDKYHEYCWBH-PXNSSMCTSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (CID 59741264) is (3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is Cc1ccccc1CC[C@H]1CCN([C@@H](C)c2ccccc2)C1=O.
What is the InChIKey of (3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is QPGRDKYHEYCWBH-PXNSSMCTSA-N. The full InChI is InChI=1S/C21H25NO/c1-16-8-6-7-9-18(16)12-13-20-14-15-22(21(20)23)17(2)19-10-4-3-5-11-19/h3-11,17,20H,12-15H2,1-2H3/t17-,20-/m0/s1.
What are the key properties of (3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
(3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 307.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 59741264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).