2-oxoethyl N-ethylcarbamoperoxoate

C5H9NO4 — CID 121415278

IUPAC2-oxoethyl N-ethylcarbamoperoxoate
SMILESCCNC(=O)OOCC=O
InChIInChI=1S/C5H9NO4/c1-2-6-5(8)10-9-4-3-7/h3H,2,4H2,1H3,(H,6,8)
InChIKeyOQUJVWXHLGIDIC-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.14
Rot. Bonds4

About 2-oxoethyl N-ethylcarbamoperoxoate

2-oxoethyl N-ethylcarbamoperoxoate (PubChem CID 121415278) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-oxoethyl N-ethylcarbamoperoxoate.

Molecular Properties

Compound Name2-oxoethyl N-ethylcarbamoperoxoate
PubChem CID121415278
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name2-oxoethyl N-ethylcarbamoperoxoate
SMILESCCNC(=O)OOCC=O
InChIInChI=1S/C5H9NO4/c1-2-6-5(8)10-9-4-3-7/h3H,2,4H2,1H3,(H,6,8)
InChIKeyOQUJVWXHLGIDIC-UHFFFAOYSA-N
XLogP-0.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxoethyl N-ethylcarbamoperoxoate?
The IUPAC name of 2-oxoethyl N-ethylcarbamoperoxoate (CID 121415278) is 2-oxoethyl N-ethylcarbamoperoxoate.
What is the SMILES notation for 2-oxoethyl N-ethylcarbamoperoxoate?
The canonical SMILES for 2-oxoethyl N-ethylcarbamoperoxoate is CCNC(=O)OOCC=O.
What is the InChIKey of 2-oxoethyl N-ethylcarbamoperoxoate?
The InChIKey is OQUJVWXHLGIDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-2-6-5(8)10-9-4-3-7/h3H,2,4H2,1H3,(H,6,8).
What are the key properties of 2-oxoethyl N-ethylcarbamoperoxoate?
2-oxoethyl N-ethylcarbamoperoxoate has a molecular weight of 147.13 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl N-ethylcarbamoperoxoate is sourced from PubChem (CID 121415278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).