(4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one

C14H18N2O — CID 177444689

IUPAC(4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N1C[C@H]1[C@H]1CNC(=O)C1
InChIInChI=1S/C14H18N2O/c1-10(11-5-3-2-4-6-11)16-9-13(16)12-7-14(17)15-8-12/h2-6,10,12-13H,7-9H2,1H3,(H,15,17)/t10-,12+,13-,16?/m0/s1
InChIKeyOZIAFJRGUGBYKR-BEZVDBFRSA-N
MW230.31 g/mol
LogP1.57
Rot. Bonds3

About (4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one

(4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one (PubChem CID 177444689) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one
PubChem CID177444689
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N1C[C@H]1[C@H]1CNC(=O)C1
InChIInChI=1S/C14H18N2O/c1-10(11-5-3-2-4-6-11)16-9-13(16)12-7-14(17)15-8-12/h2-6,10,12-13H,7-9H2,1H3,(H,15,17)/t10-,12+,13-,16?/m0/s1
InChIKeyOZIAFJRGUGBYKR-BEZVDBFRSA-N
XLogP1.57
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 58945362
4-[(1S)-1-aminoethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118476453
4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 66713329
(1S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-one
CID 10703897
(3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
CID 71269820
4-(1-aminoethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 54042387
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide
CID 135100334
(4S)-4-(bromomethyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 24813930
1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875834
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
4-(1-phenylpropyl)pyrrolidin-2-one
CID 122156868

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one (CID 177444689) is (4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one is C[C@@H](c1ccccc1)N1C[C@H]1[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one?
The InChIKey is OZIAFJRGUGBYKR-BEZVDBFRSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(11-5-3-2-4-6-11)16-9-13(16)12-7-14(17)15-8-12/h2-6,10,12-13H,7-9H2,1H3,(H,15,17)/t10-,12+,13-,16?/m0/s1.
What are the key properties of (4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one?
(4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 177444689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).