2-N,3-N-diethyloxirane-2,3-dicarboxamide

C8H14N2O3 — CID 91155751

IUPAC2-N,3-N-diethyloxirane-2,3-dicarboxamide
SMILESCCNC(=O)C1OC1C(=O)NCC
InChIInChI=1S/C8H14N2O3/c1-3-9-7(11)5-6(13-5)8(12)10-4-2/h5-6H,3-4H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyROCCBLUEJBAVFN-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.97
Rot. Bonds4

About 2-N,3-N-diethyloxirane-2,3-dicarboxamide

2-N,3-N-diethyloxirane-2,3-dicarboxamide (PubChem CID 91155751) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-N,3-N-diethyloxirane-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N,3-N-diethyloxirane-2,3-dicarboxamide
PubChem CID91155751
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-N,3-N-diethyloxirane-2,3-dicarboxamide
SMILESCCNC(=O)C1OC1C(=O)NCC
InChIInChI=1S/C8H14N2O3/c1-3-9-7(11)5-6(13-5)8(12)10-4-2/h5-6H,3-4H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyROCCBLUEJBAVFN-UHFFFAOYSA-N
XLogP-0.97
TPSA70.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-N,3-N-diethyloxirane-2,3-dicarboxamide?
The IUPAC name of 2-N,3-N-diethyloxirane-2,3-dicarboxamide (CID 91155751) is 2-N,3-N-diethyloxirane-2,3-dicarboxamide.
What is the SMILES notation for 2-N,3-N-diethyloxirane-2,3-dicarboxamide?
The canonical SMILES for 2-N,3-N-diethyloxirane-2,3-dicarboxamide is CCNC(=O)C1OC1C(=O)NCC.
What is the InChIKey of 2-N,3-N-diethyloxirane-2,3-dicarboxamide?
The InChIKey is ROCCBLUEJBAVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-3-9-7(11)5-6(13-5)8(12)10-4-2/h5-6H,3-4H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of 2-N,3-N-diethyloxirane-2,3-dicarboxamide?
2-N,3-N-diethyloxirane-2,3-dicarboxamide has a molecular weight of 186.21 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-diethyloxirane-2,3-dicarboxamide is sourced from PubChem (CID 91155751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).