ethyl N-ethoxycarbonyloxane-4-carboximidate

C11H19NO4 — CID 90426757

IUPACethyl N-ethoxycarbonyloxane-4-carboximidate
SMILESCCOC(=O)N=C(OCC)C1CCOCC1
InChIInChI=1S/C11H19NO4/c1-3-15-10(12-11(13)16-4-2)9-5-7-14-8-6-9/h9H,3-8H2,1-2H3
InChIKeyKDVNOCUDGBODDT-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.00
Rot. Bonds3

About ethyl N-ethoxycarbonyloxane-4-carboximidate

ethyl N-ethoxycarbonyloxane-4-carboximidate (PubChem CID 90426757) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl N-ethoxycarbonyloxane-4-carboximidate.

Molecular Properties

Compound Nameethyl N-ethoxycarbonyloxane-4-carboximidate
PubChem CID90426757
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl N-ethoxycarbonyloxane-4-carboximidate
SMILESCCOC(=O)N=C(OCC)C1CCOCC1
InChIInChI=1S/C11H19NO4/c1-3-15-10(12-11(13)16-4-2)9-5-7-14-8-6-9/h9H,3-8H2,1-2H3
InChIKeyKDVNOCUDGBODDT-UHFFFAOYSA-N
XLogP2.00
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-ethoxycarbonyloxane-4-carboximidate?
The IUPAC name of ethyl N-ethoxycarbonyloxane-4-carboximidate (CID 90426757) is ethyl N-ethoxycarbonyloxane-4-carboximidate.
What is the SMILES notation for ethyl N-ethoxycarbonyloxane-4-carboximidate?
The canonical SMILES for ethyl N-ethoxycarbonyloxane-4-carboximidate is CCOC(=O)N=C(OCC)C1CCOCC1.
What is the InChIKey of ethyl N-ethoxycarbonyloxane-4-carboximidate?
The InChIKey is KDVNOCUDGBODDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-15-10(12-11(13)16-4-2)9-5-7-14-8-6-9/h9H,3-8H2,1-2H3.
What are the key properties of ethyl N-ethoxycarbonyloxane-4-carboximidate?
ethyl N-ethoxycarbonyloxane-4-carboximidate has a molecular weight of 229.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethoxycarbonyloxane-4-carboximidate is sourced from PubChem (CID 90426757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).