5-ethyl-1-phenylpyrrolidin-2-one

C12H15NO — CID 14142559

IUPAC5-ethyl-1-phenylpyrrolidin-2-one
SMILESCCC1CCC(=O)N1c1ccccc1
InChIInChI=1S/C12H15NO/c1-2-10-8-9-12(14)13(10)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKeyVMQFXJOTVNVXQK-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.59
Rot. Bonds2

About 5-ethyl-1-phenylpyrrolidin-2-one

5-ethyl-1-phenylpyrrolidin-2-one (PubChem CID 14142559) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-ethyl-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-1-phenylpyrrolidin-2-one
PubChem CID14142559
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-ethyl-1-phenylpyrrolidin-2-one
SMILESCCC1CCC(=O)N1c1ccccc1
InChIInChI=1S/C12H15NO/c1-2-10-8-9-12(14)13(10)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKeyVMQFXJOTVNVXQK-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-phenylpyrrolidin-2-one?
The IUPAC name of 5-ethyl-1-phenylpyrrolidin-2-one (CID 14142559) is 5-ethyl-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-1-phenylpyrrolidin-2-one?
The canonical SMILES for 5-ethyl-1-phenylpyrrolidin-2-one is CCC1CCC(=O)N1c1ccccc1.
What is the InChIKey of 5-ethyl-1-phenylpyrrolidin-2-one?
The InChIKey is VMQFXJOTVNVXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-10-8-9-12(14)13(10)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3.
What are the key properties of 5-ethyl-1-phenylpyrrolidin-2-one?
5-ethyl-1-phenylpyrrolidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 14142559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).