5-benzyl-3-methylpyrrolidin-2-one

C12H15NO — CID 3024934

IUPAC5-benzyl-3-methylpyrrolidin-2-one
SMILESCC1CC(Cc2ccccc2)NC1=O
InChIInChI=1S/C12H15NO/c1-9-7-11(13-12(9)14)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14)
InChIKeyWPMFKCWRVDOCEC-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.75
Rot. Bonds2

About 5-benzyl-3-methylpyrrolidin-2-one

5-benzyl-3-methylpyrrolidin-2-one (PubChem CID 3024934) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-benzyl-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-benzyl-3-methylpyrrolidin-2-one
PubChem CID3024934
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-benzyl-3-methylpyrrolidin-2-one
SMILESCC1CC(Cc2ccccc2)NC1=O
InChIInChI=1S/C12H15NO/c1-9-7-11(13-12(9)14)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14)
InChIKeyWPMFKCWRVDOCEC-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-methylpyrrolidin-2-one?
The IUPAC name of 5-benzyl-3-methylpyrrolidin-2-one (CID 3024934) is 5-benzyl-3-methylpyrrolidin-2-one.
What is the SMILES notation for 5-benzyl-3-methylpyrrolidin-2-one?
The canonical SMILES for 5-benzyl-3-methylpyrrolidin-2-one is CC1CC(Cc2ccccc2)NC1=O.
What is the InChIKey of 5-benzyl-3-methylpyrrolidin-2-one?
The InChIKey is WPMFKCWRVDOCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-7-11(13-12(9)14)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14).
What are the key properties of 5-benzyl-3-methylpyrrolidin-2-one?
5-benzyl-3-methylpyrrolidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-methylpyrrolidin-2-one is sourced from PubChem (CID 3024934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).