3-benzyl-4-ethylpyrrolidin-2-one;ethane

C15H23NO — CID 142181453

IUPAC3-benzyl-4-ethylpyrrolidin-2-one;ethane
SMILESCC.CCC1CNC(=O)C1Cc1ccccc1
InChIInChI=1S/C13H17NO.C2H6/c1-2-11-9-14-13(15)12(11)8-10-6-4-3-5-7-10;1-2/h3-7,11-12H,2,8-9H2,1H3,(H,14,15);1-2H3
InChIKeyXVMVKVSAYSMGLP-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.03
Rot. Bonds3

About 3-benzyl-4-ethylpyrrolidin-2-one;ethane

3-benzyl-4-ethylpyrrolidin-2-one;ethane (PubChem CID 142181453) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-benzyl-4-ethylpyrrolidin-2-one;ethane.

Molecular Properties

Compound Name3-benzyl-4-ethylpyrrolidin-2-one;ethane
PubChem CID142181453
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-benzyl-4-ethylpyrrolidin-2-one;ethane
SMILESCC.CCC1CNC(=O)C1Cc1ccccc1
InChIInChI=1S/C13H17NO.C2H6/c1-2-11-9-14-13(15)12(11)8-10-6-4-3-5-7-10;1-2/h3-7,11-12H,2,8-9H2,1H3,(H,14,15);1-2H3
InChIKeyXVMVKVSAYSMGLP-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-ethylpyrrolidin-2-one;ethane?
The IUPAC name of 3-benzyl-4-ethylpyrrolidin-2-one;ethane (CID 142181453) is 3-benzyl-4-ethylpyrrolidin-2-one;ethane.
What is the SMILES notation for 3-benzyl-4-ethylpyrrolidin-2-one;ethane?
The canonical SMILES for 3-benzyl-4-ethylpyrrolidin-2-one;ethane is CC.CCC1CNC(=O)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-ethylpyrrolidin-2-one;ethane?
The InChIKey is XVMVKVSAYSMGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C2H6/c1-2-11-9-14-13(15)12(11)8-10-6-4-3-5-7-10;1-2/h3-7,11-12H,2,8-9H2,1H3,(H,14,15);1-2H3.
What are the key properties of 3-benzyl-4-ethylpyrrolidin-2-one;ethane?
3-benzyl-4-ethylpyrrolidin-2-one;ethane has a molecular weight of 233.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-ethylpyrrolidin-2-one;ethane is sourced from PubChem (CID 142181453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).