4-methyl-4-phenylpyrrolidin-2-one

C11H13NO — CID 4593357

IUPAC4-methyl-4-phenylpyrrolidin-2-one
SMILESCC1(c2ccccc2)CNC(=O)C1
InChIInChI=1S/C11H13NO/c1-11(7-10(13)12-8-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyJHXOTRGSEUYRHN-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.46
Rot. Bonds1

About 4-methyl-4-phenylpyrrolidin-2-one

4-methyl-4-phenylpyrrolidin-2-one (PubChem CID 4593357) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-methyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-phenylpyrrolidin-2-one
PubChem CID4593357
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-methyl-4-phenylpyrrolidin-2-one
SMILESCC1(c2ccccc2)CNC(=O)C1
InChIInChI=1S/C11H13NO/c1-11(7-10(13)12-8-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyJHXOTRGSEUYRHN-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenylpyrrolidin-2-one?
The IUPAC name of 4-methyl-4-phenylpyrrolidin-2-one (CID 4593357) is 4-methyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-methyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for 4-methyl-4-phenylpyrrolidin-2-one is CC1(c2ccccc2)CNC(=O)C1.
What is the InChIKey of 4-methyl-4-phenylpyrrolidin-2-one?
The InChIKey is JHXOTRGSEUYRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-11(7-10(13)12-8-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13).
What are the key properties of 4-methyl-4-phenylpyrrolidin-2-one?
4-methyl-4-phenylpyrrolidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 4593357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).