4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one

C14H19NO2 — CID 66107639

IUPAC4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one
SMILESCCOc1cccc(C2CC(=O)NC2(C)C)c1
InChIInChI=1S/C14H19NO2/c1-4-17-11-7-5-6-10(8-11)12-9-13(16)15-14(12,2)3/h5-8,12H,4,9H2,1-3H3,(H,15,16)
InChIKeyHZFSSAIBCPNGSU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds3

About 4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one

4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 66107639) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID66107639
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one
SMILESCCOc1cccc(C2CC(=O)NC2(C)C)c1
InChIInChI=1S/C14H19NO2/c1-4-17-11-7-5-6-10(8-11)12-9-13(16)15-14(12,2)3/h5-8,12H,4,9H2,1-3H3,(H,15,16)
InChIKeyHZFSSAIBCPNGSU-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one (CID 66107639) is 4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one is CCOc1cccc(C2CC(=O)NC2(C)C)c1.
What is the InChIKey of 4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is HZFSSAIBCPNGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-17-11-7-5-6-10(8-11)12-9-13(16)15-14(12,2)3/h5-8,12H,4,9H2,1-3H3,(H,15,16).
What are the key properties of 4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one?
4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 66107639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).