1-methyl-3-(2-phenylethyl)pyrrolidin-2-one

C13H17NO — CID 24974613

IUPAC1-methyl-3-(2-phenylethyl)pyrrolidin-2-one
SMILESCN1CCC(CCc2ccccc2)C1=O
InChIInChI=1S/C13H17NO/c1-14-10-9-12(13(14)15)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyRPDHVXXMIXQHIA-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.10
Rot. Bonds3

About 1-methyl-3-(2-phenylethyl)pyrrolidin-2-one

1-methyl-3-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 24974613) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-phenylethyl)pyrrolidin-2-one
PubChem CID24974613
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-methyl-3-(2-phenylethyl)pyrrolidin-2-one
SMILESCN1CCC(CCc2ccccc2)C1=O
InChIInChI=1S/C13H17NO/c1-14-10-9-12(13(14)15)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyRPDHVXXMIXQHIA-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(2-phenylethyl)pyrrolidin-2-one (CID 24974613) is 1-methyl-3-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(2-phenylethyl)pyrrolidin-2-one is CN1CCC(CCc2ccccc2)C1=O.
What is the InChIKey of 1-methyl-3-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is RPDHVXXMIXQHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-10-9-12(13(14)15)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3.
What are the key properties of 1-methyl-3-(2-phenylethyl)pyrrolidin-2-one?
1-methyl-3-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 24974613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).