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

C11H13NO2 — CID 14288126

IUPAC(2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide
SMILESCN(C)C(=O)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C11H13NO2/c1-12(2)11(13)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3/t9-,10+/m1/s1
InChIKeyMWYMTMVJAKRBPS-ZJUUUORDSA-N
MW191.23 g/mol
LogP1.21
Rot. Bonds2

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

(2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide (PubChem CID 14288126) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide
PubChem CID14288126
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide
SMILESCN(C)C(=O)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C11H13NO2/c1-12(2)11(13)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3/t9-,10+/m1/s1
InChIKeyMWYMTMVJAKRBPS-ZJUUUORDSA-N
XLogP1.21
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
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 (2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide?
The IUPAC name of (2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide (CID 14288126) is (2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide?
The canonical SMILES for (2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide is CN(C)C(=O)[C@H]1O[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide?
The InChIKey is MWYMTMVJAKRBPS-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12(2)11(13)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide?
(2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide is sourced from PubChem (CID 14288126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).