(2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone

C15H13NO2 — CID 11139205

IUPAC(2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone
SMILESNc1ccccc1C(=O)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C15H13NO2/c16-12-9-5-4-8-11(12)13(17)15-14(18-15)10-6-2-1-3-7-10/h1-9,14-15H,16H2/t14-,15-/m0/s1
InChIKeyXZOFYBSUOARQRH-GJZGRUSLSA-N
MW239.27 g/mol
LogP2.59
Rot. Bonds3

About (2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone

(2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone (PubChem CID 11139205) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone
PubChem CID11139205
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone
SMILESNc1ccccc1C(=O)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C15H13NO2/c16-12-9-5-4-8-11(12)13(17)15-14(18-15)10-6-2-1-3-7-10/h1-9,14-15H,16H2/t14-,15-/m0/s1
InChIKeyXZOFYBSUOARQRH-GJZGRUSLSA-N
XLogP2.59
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxyphenyl)-(3-phenyloxiran-2-yl)methanone
CID 578625
(2-methylphenyl)-[(2S,3S)-3-phenyloxiran-2-yl]methanone
CID 94036635
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
(3-phenyloxiran-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 138963219
(2R,3S)-3-phenyloxirane-2-carboxamide
CID 10931765
(2S,3S)-3-phenyloxirane-2-carboxylic acid
CID 906621
(4-bromophenyl)-(3-phenyloxiran-2-yl)methanone
CID 12665544
[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
CID 135504692
potassium 3-phenyloxirane-2-carboxylic acid
CID 54603648
CID 131880928
CID 131880928
[2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 11426116
(2-amino-5-bromophenyl)-[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanone
CID 71492534

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
The IUPAC name of (2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone (CID 11139205) is (2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone is Nc1ccccc1C(=O)[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
The InChIKey is XZOFYBSUOARQRH-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H13NO2/c16-12-9-5-4-8-11(12)13(17)15-14(18-15)10-6-2-1-3-7-10/h1-9,14-15H,16H2/t14-,15-/m0/s1.
What are the key properties of (2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
(2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone has a molecular weight of 239.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone is sourced from PubChem (CID 11139205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).