4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one

C16H23NO — CID 123589001

IUPAC4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(C)(C)c2ccccc2)CC1=O
InChIInChI=1S/C16H23NO/c1-4-10-17-12-14(11-15(17)18)16(2,3)13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3
InChIKeyHERLLFSEXSMMGA-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.22
Rot. Bonds4

About 4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one

4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one (PubChem CID 123589001) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one
PubChem CID123589001
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(C)(C)c2ccccc2)CC1=O
InChIInChI=1S/C16H23NO/c1-4-10-17-12-14(11-15(17)18)16(2,3)13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3
InChIKeyHERLLFSEXSMMGA-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-1-propylpyrrolidin-2-one
CID 13362249
4-(1-phenylethyl)-1-propylpyrrolidin-2-one
CID 123830048
(4R)-1-benzyl-4-[hydroxy(diphenyl)methyl]pyrrolidin-2-one
CID 92845757
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one
CID 104510945
5,6-ditert-butyl-1-propylazepan-2-one
CID 59996889
1-(3-bromo-2-phenylpropyl)-4-tert-butylpyrrolidin-2-one
CID 104511323
4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 110346238
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346283
4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one
CID 104512227
cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one
CID 10537454
4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512277

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one?
The IUPAC name of 4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one (CID 123589001) is 4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one is CCCN1CC(C(C)(C)c2ccccc2)CC1=O.
What is the InChIKey of 4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one?
The InChIKey is HERLLFSEXSMMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-10-17-12-14(11-15(17)18)16(2,3)13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3.
What are the key properties of 4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one?
4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpropan-2-yl)-1-propylpyrrolidin-2-one is sourced from PubChem (CID 123589001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).