4-methyl-5-(2-phenylethyl)pyrrolidin-2-one

C13H17NO — CID 133106816

IUPAC4-methyl-5-(2-phenylethyl)pyrrolidin-2-one
SMILESCC1CC(=O)NC1CCc1ccccc1
InChIInChI=1S/C13H17NO/c1-10-9-13(15)14-12(10)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,14,15)
InChIKeyBHOSYEQZKOUHQP-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.14
Rot. Bonds3

About 4-methyl-5-(2-phenylethyl)pyrrolidin-2-one

4-methyl-5-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 133106816) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-methyl-5-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-(2-phenylethyl)pyrrolidin-2-one
PubChem CID133106816
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-methyl-5-(2-phenylethyl)pyrrolidin-2-one
SMILESCC1CC(=O)NC1CCc1ccccc1
InChIInChI=1S/C13H17NO/c1-10-9-13(15)14-12(10)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,14,15)
InChIKeyBHOSYEQZKOUHQP-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-methyl-5-(2-phenylethyl)pyrrolidin-2-one (CID 133106816) is 4-methyl-5-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-5-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-methyl-5-(2-phenylethyl)pyrrolidin-2-one is CC1CC(=O)NC1CCc1ccccc1.
What is the InChIKey of 4-methyl-5-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is BHOSYEQZKOUHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-9-13(15)14-12(10)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,14,15).
What are the key properties of 4-methyl-5-(2-phenylethyl)pyrrolidin-2-one?
4-methyl-5-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 133106816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).