N-ethyl-3-phenyloxirane-2-carboxamide

C11H13NO2 — CID 130023918

IUPACN-ethyl-3-phenyloxirane-2-carboxamide
SMILESCCNC(=O)C1OC1c1ccccc1
InChIInChI=1S/C11H13NO2/c1-2-12-11(13)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H,12,13)
InChIKeySDYZGNJUVJXUAJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.26
Rot. Bonds3

About N-ethyl-3-phenyloxirane-2-carboxamide

N-ethyl-3-phenyloxirane-2-carboxamide (PubChem CID 130023918) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-ethyl-3-phenyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-phenyloxirane-2-carboxamide
PubChem CID130023918
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-ethyl-3-phenyloxirane-2-carboxamide
SMILESCCNC(=O)C1OC1c1ccccc1
InChIInChI=1S/C11H13NO2/c1-2-12-11(13)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H,12,13)
InChIKeySDYZGNJUVJXUAJ-UHFFFAOYSA-N
XLogP1.26
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.26
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 N-ethyl-3-phenyloxirane-2-carboxamide?
The IUPAC name of N-ethyl-3-phenyloxirane-2-carboxamide (CID 130023918) is N-ethyl-3-phenyloxirane-2-carboxamide.
What is the SMILES notation for N-ethyl-3-phenyloxirane-2-carboxamide?
The canonical SMILES for N-ethyl-3-phenyloxirane-2-carboxamide is CCNC(=O)C1OC1c1ccccc1.
What is the InChIKey of N-ethyl-3-phenyloxirane-2-carboxamide?
The InChIKey is SDYZGNJUVJXUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-12-11(13)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H,12,13).
What are the key properties of N-ethyl-3-phenyloxirane-2-carboxamide?
N-ethyl-3-phenyloxirane-2-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenyloxirane-2-carboxamide is sourced from PubChem (CID 130023918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).