3-phenyloxirane-2,2-dicarboxamide

C10H10N2O3 — CID 4557691

IUPAC3-phenyloxirane-2,2-dicarboxamide
SMILESNC(=O)C1(C(N)=O)OC1c1ccccc1
InChIInChI=1S/C10H10N2O3/c11-8(13)10(9(12)14)7(15-10)6-4-2-1-3-5-6/h1-5,7H,(H2,11,13)(H2,12,14)
InChIKeyMDHLZUKWMWDKGL-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.53
Rot. Bonds3

About 3-phenyloxirane-2,2-dicarboxamide

3-phenyloxirane-2,2-dicarboxamide (PubChem CID 4557691) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-phenyloxirane-2,2-dicarboxamide.

Molecular Properties

Compound Name3-phenyloxirane-2,2-dicarboxamide
PubChem CID4557691
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-phenyloxirane-2,2-dicarboxamide
SMILESNC(=O)C1(C(N)=O)OC1c1ccccc1
InChIInChI=1S/C10H10N2O3/c11-8(13)10(9(12)14)7(15-10)6-4-2-1-3-5-6/h1-5,7H,(H2,11,13)(H2,12,14)
InChIKeyMDHLZUKWMWDKGL-UHFFFAOYSA-N
XLogP-0.53
TPSA98.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyloxirane-2,2-dicarboxamide?
The IUPAC name of 3-phenyloxirane-2,2-dicarboxamide (CID 4557691) is 3-phenyloxirane-2,2-dicarboxamide.
What is the SMILES notation for 3-phenyloxirane-2,2-dicarboxamide?
The canonical SMILES for 3-phenyloxirane-2,2-dicarboxamide is NC(=O)C1(C(N)=O)OC1c1ccccc1.
What is the InChIKey of 3-phenyloxirane-2,2-dicarboxamide?
The InChIKey is MDHLZUKWMWDKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-8(13)10(9(12)14)7(15-10)6-4-2-1-3-5-6/h1-5,7H,(H2,11,13)(H2,12,14).
What are the key properties of 3-phenyloxirane-2,2-dicarboxamide?
3-phenyloxirane-2,2-dicarboxamide has a molecular weight of 206.20 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyloxirane-2,2-dicarboxamide is sourced from PubChem (CID 4557691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).