(2R,3S)-3-phenyloxirane-2-carboxamide

C9H9NO2 — CID 10931765

IUPAC(2R,3S)-3-phenyloxirane-2-carboxamide
SMILESNC(=O)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C9H9NO2/c10-9(11)8-7(12-8)6-4-2-1-3-5-6/h1-5,7-8H,(H2,10,11)/t7-,8+/m0/s1
InChIKeyWXVCRRFNDGFWQY-JGVFFNPUSA-N
MW163.18 g/mol
LogP0.61
Rot. Bonds2

About (2R,3S)-3-phenyloxirane-2-carboxamide

(2R,3S)-3-phenyloxirane-2-carboxamide (PubChem CID 10931765) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (2R,3S)-3-phenyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-phenyloxirane-2-carboxamide
PubChem CID10931765
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(2R,3S)-3-phenyloxirane-2-carboxamide
SMILESNC(=O)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C9H9NO2/c10-9(11)8-7(12-8)6-4-2-1-3-5-6/h1-5,7-8H,(H2,10,11)/t7-,8+/m0/s1
InChIKeyWXVCRRFNDGFWQY-JGVFFNPUSA-N
XLogP0.61
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.61
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-phenyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-3-phenyloxirane-2-carboxamide (CID 10931765) is (2R,3S)-3-phenyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-phenyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-phenyloxirane-2-carboxamide is NC(=O)[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-3-phenyloxirane-2-carboxamide?
The InChIKey is WXVCRRFNDGFWQY-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H9NO2/c10-9(11)8-7(12-8)6-4-2-1-3-5-6/h1-5,7-8H,(H2,10,11)/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-3-phenyloxirane-2-carboxamide?
(2R,3S)-3-phenyloxirane-2-carboxamide has a molecular weight of 163.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-phenyloxirane-2-carboxamide is sourced from PubChem (CID 10931765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).