1-benzyl-4,5-dimethylpyrrolidin-2-one

C13H17NO — CID 14435952

IUPAC1-benzyl-4,5-dimethylpyrrolidin-2-one
SMILESCC1CC(=O)N(Cc2ccccc2)C1C
InChIInChI=1S/C13H17NO/c1-10-8-13(15)14(11(10)2)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyPTHAPSURRKRDJB-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.44
Rot. Bonds2

About 1-benzyl-4,5-dimethylpyrrolidin-2-one

1-benzyl-4,5-dimethylpyrrolidin-2-one (PubChem CID 14435952) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-benzyl-4,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4,5-dimethylpyrrolidin-2-one
PubChem CID14435952
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-benzyl-4,5-dimethylpyrrolidin-2-one
SMILESCC1CC(=O)N(Cc2ccccc2)C1C
InChIInChI=1S/C13H17NO/c1-10-8-13(15)14(11(10)2)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyPTHAPSURRKRDJB-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-dimethylpyrrolidin-2-one?
The IUPAC name of 1-benzyl-4,5-dimethylpyrrolidin-2-one (CID 14435952) is 1-benzyl-4,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4,5-dimethylpyrrolidin-2-one is CC1CC(=O)N(Cc2ccccc2)C1C.
What is the InChIKey of 1-benzyl-4,5-dimethylpyrrolidin-2-one?
The InChIKey is PTHAPSURRKRDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-8-13(15)14(11(10)2)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 1-benzyl-4,5-dimethylpyrrolidin-2-one?
1-benzyl-4,5-dimethylpyrrolidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 14435952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).