5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one

C15H21NO — CID 66108510

IUPAC5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one
SMILESCCC1NC(=O)CC1(C)CCc1ccccc1
InChIInChI=1S/C15H21NO/c1-3-13-15(2,11-14(17)16-13)10-9-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,16,17)
InChIKeyFLLLUAMQOADOPP-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.92
Rot. Bonds4

About 5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one

5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 66108510) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one
PubChem CID66108510
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one
SMILESCCC1NC(=O)CC1(C)CCc1ccccc1
InChIInChI=1S/C15H21NO/c1-3-13-15(2,11-14(17)16-13)10-9-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,16,17)
InChIKeyFLLLUAMQOADOPP-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one (CID 66108510) is 5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one is CCC1NC(=O)CC1(C)CCc1ccccc1.
What is the InChIKey of 5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is FLLLUAMQOADOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-13-15(2,11-14(17)16-13)10-9-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,16,17).
What are the key properties of 5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one?
5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 66108510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).