(4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one

C13H17NO — CID 124705684

IUPAC(4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one
SMILESCC[C@H](c1ccccc1)[C@H]1CNC(=O)C1
InChIInChI=1S/C13H17NO/c1-2-12(10-6-4-3-5-7-10)11-8-13(15)14-9-11/h3-7,11-12H,2,8-9H2,1H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyRJQXMTQXSQXQNP-VXGBXAGGSA-N
MW203.29 g/mol
LogP2.32
Rot. Bonds3

About (4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one

(4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one (PubChem CID 124705684) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one
PubChem CID124705684
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one
SMILESCC[C@H](c1ccccc1)[C@H]1CNC(=O)C1
InChIInChI=1S/C13H17NO/c1-2-12(10-6-4-3-5-7-10)11-8-13(15)14-9-11/h3-7,11-12H,2,8-9H2,1H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyRJQXMTQXSQXQNP-VXGBXAGGSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-phenylpropyl)pyrrolidin-2-one
CID 122156868
(4R)-4-[(1S)-1-hydroxypropyl]pyrrolidin-2-one
CID 66713637
N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 78982591
5-(1-phenylpropylamino)piperidin-2-one
CID 63661190
4-(1-phenylpentylamino)pyrrolidin-2-one
CID 106183225
4-(1-phenylpropyl)oxane
CID 155461106
(4R,5R)-5-ethyl-4-phenylpiperidin-2-one
CID 101133780
4-propan-2-ylpyrrolidin-2-one
CID 20976007
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one
CID 54687941
4-phenylpyrrolidin-2-one;hydrate
CID 171699854
3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide
CID 106186177
(4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one
CID 177444689

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one (CID 124705684) is (4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one is CC[C@H](c1ccccc1)[C@H]1CNC(=O)C1.
What is the InChIKey of (4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one?
The InChIKey is RJQXMTQXSQXQNP-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-12(10-6-4-3-5-7-10)11-8-13(15)14-9-11/h3-7,11-12H,2,8-9H2,1H3,(H,14,15)/t11-,12-/m1/s1.
What are the key properties of (4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one?
(4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 124705684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).