3-ethyl-3-phenylpyrrolidin-2-one

C12H15NO — CID 3059788

IUPAC3-ethyl-3-phenylpyrrolidin-2-one
SMILESCCC1(c2ccccc2)CCNC1=O
InChIInChI=1S/C12H15NO/c1-2-12(8-9-13-11(12)14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKeyHUGUNZZWSZIHIE-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.85
Rot. Bonds2

About 3-ethyl-3-phenylpyrrolidin-2-one

3-ethyl-3-phenylpyrrolidin-2-one (PubChem CID 3059788) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-ethyl-3-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-3-phenylpyrrolidin-2-one
PubChem CID3059788
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-ethyl-3-phenylpyrrolidin-2-one
SMILESCCC1(c2ccccc2)CCNC1=O
InChIInChI=1S/C12H15NO/c1-2-12(8-9-13-11(12)14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKeyHUGUNZZWSZIHIE-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-phenylpyrrolidin-2-one?
The IUPAC name of 3-ethyl-3-phenylpyrrolidin-2-one (CID 3059788) is 3-ethyl-3-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-3-phenylpyrrolidin-2-one?
The canonical SMILES for 3-ethyl-3-phenylpyrrolidin-2-one is CCC1(c2ccccc2)CCNC1=O.
What is the InChIKey of 3-ethyl-3-phenylpyrrolidin-2-one?
The InChIKey is HUGUNZZWSZIHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-12(8-9-13-11(12)14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14).
What are the key properties of 3-ethyl-3-phenylpyrrolidin-2-one?
3-ethyl-3-phenylpyrrolidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-phenylpyrrolidin-2-one is sourced from PubChem (CID 3059788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).