4-(2-ethylphenyl)-5-methylpyrrolidin-2-one

C13H17NO — CID 66108905

IUPAC4-(2-ethylphenyl)-5-methylpyrrolidin-2-one
SMILESCCc1ccccc1C1CC(=O)NC1C
InChIInChI=1S/C13H17NO/c1-3-10-6-4-5-7-11(10)12-8-13(15)14-9(12)2/h4-7,9,12H,3,8H2,1-2H3,(H,14,15)
InChIKeyMTDFQWIIRKULNF-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.24
Rot. Bonds2

About 4-(2-ethylphenyl)-5-methylpyrrolidin-2-one

4-(2-ethylphenyl)-5-methylpyrrolidin-2-one (PubChem CID 66108905) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-(2-ethylphenyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-ethylphenyl)-5-methylpyrrolidin-2-one
PubChem CID66108905
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-(2-ethylphenyl)-5-methylpyrrolidin-2-one
SMILESCCc1ccccc1C1CC(=O)NC1C
InChIInChI=1S/C13H17NO/c1-3-10-6-4-5-7-11(10)12-8-13(15)14-9(12)2/h4-7,9,12H,3,8H2,1-2H3,(H,14,15)
InChIKeyMTDFQWIIRKULNF-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 4-(2-ethylphenyl)-5-methylpyrrolidin-2-one (CID 66108905) is 4-(2-ethylphenyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(2-ethylphenyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 4-(2-ethylphenyl)-5-methylpyrrolidin-2-one is CCc1ccccc1C1CC(=O)NC1C.
What is the InChIKey of 4-(2-ethylphenyl)-5-methylpyrrolidin-2-one?
The InChIKey is MTDFQWIIRKULNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-10-6-4-5-7-11(10)12-8-13(15)14-9(12)2/h4-7,9,12H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-ethylphenyl)-5-methylpyrrolidin-2-one?
4-(2-ethylphenyl)-5-methylpyrrolidin-2-one has a molecular weight of 203.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 66108905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).