5-methyl-1-(2-phenylethyl)pyrrolidin-2-one

C13H17NO — CID 10845830

IUPAC5-methyl-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCC1CCC(=O)N1CCc1ccccc1
InChIInChI=1S/C13H17NO/c1-11-7-8-13(15)14(11)10-9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyKBTPZHPRSWPSEN-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.24
Rot. Bonds3

About 5-methyl-1-(2-phenylethyl)pyrrolidin-2-one

5-methyl-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 10845830) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-methyl-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID10845830
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name5-methyl-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCC1CCC(=O)N1CCc1ccccc1
InChIInChI=1S/C13H17NO/c1-11-7-8-13(15)14(11)10-9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyKBTPZHPRSWPSEN-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 5-methyl-1-(2-phenylethyl)pyrrolidin-2-one (CID 10845830) is 5-methyl-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 5-methyl-1-(2-phenylethyl)pyrrolidin-2-one is CC1CCC(=O)N1CCc1ccccc1.
What is the InChIKey of 5-methyl-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is KBTPZHPRSWPSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-7-8-13(15)14(11)10-9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of 5-methyl-1-(2-phenylethyl)pyrrolidin-2-one?
5-methyl-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 10845830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).