(3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one

C11H14N2O2 — CID 102384574

IUPAC(3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@](O)(c2ccccc2N)C1=O
InChIInChI=1S/C11H14N2O2/c1-13-7-6-11(15,10(13)14)8-4-2-3-5-9(8)12/h2-5,15H,6-7,12H2,1H3/t11-/m0/s1
InChIKeyNCEOLGAELZDDIE-NSHDSACASA-N
MW206.25 g/mol
LogP0.32
Rot. Bonds1

About (3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one

(3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 102384574) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID102384574
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@](O)(c2ccccc2N)C1=O
InChIInChI=1S/C11H14N2O2/c1-13-7-6-11(15,10(13)14)8-4-2-3-5-9(8)12/h2-5,15H,6-7,12H2,1H3/t11-/m0/s1
InChIKeyNCEOLGAELZDDIE-NSHDSACASA-N
XLogP0.32
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one (CID 102384574) is (3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one is CN1CC[C@](O)(c2ccccc2N)C1=O.
What is the InChIKey of (3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is NCEOLGAELZDDIE-NSHDSACASA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-7-6-11(15,10(13)14)8-4-2-3-5-9(8)12/h2-5,15H,6-7,12H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
(3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-aminophenyl)-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 102384574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).