4-phenyl-1-propylpyrrolidin-2-one

C13H17NO — CID 13362249

IUPAC4-phenyl-1-propylpyrrolidin-2-one
SMILESCCCN1CC(c2ccccc2)CC1=O
InChIInChI=1S/C13H17NO/c1-2-8-14-10-12(9-13(14)15)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyHDJDACATCWJVKO-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.41
Rot. Bonds3

About 4-phenyl-1-propylpyrrolidin-2-one

4-phenyl-1-propylpyrrolidin-2-one (PubChem CID 13362249) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-phenyl-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-phenyl-1-propylpyrrolidin-2-one
PubChem CID13362249
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-phenyl-1-propylpyrrolidin-2-one
SMILESCCCN1CC(c2ccccc2)CC1=O
InChIInChI=1S/C13H17NO/c1-2-8-14-10-12(9-13(14)15)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyHDJDACATCWJVKO-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-propylpyrrolidin-2-one?
The IUPAC name of 4-phenyl-1-propylpyrrolidin-2-one (CID 13362249) is 4-phenyl-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-phenyl-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-phenyl-1-propylpyrrolidin-2-one is CCCN1CC(c2ccccc2)CC1=O.
What is the InChIKey of 4-phenyl-1-propylpyrrolidin-2-one?
The InChIKey is HDJDACATCWJVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-8-14-10-12(9-13(14)15)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of 4-phenyl-1-propylpyrrolidin-2-one?
4-phenyl-1-propylpyrrolidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-propylpyrrolidin-2-one is sourced from PubChem (CID 13362249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).