ethyl oxane-4-carboximidate

C8H15NO2 — CID 62384649

IUPACethyl oxane-4-carboximidate
SMILES[H]/N=C(\OCC)C1CCOCC1
InChIInChI=1S/C8H15NO2/c1-2-11-8(9)7-3-5-10-6-4-7/h7,9H,2-6H2,1H3/b9-8-
InChIKeyBWDPTIYUGYJUAU-HJWRWDBZSA-N
MW157.21 g/mol
LogP1.43
Rot. Bonds2

About ethyl oxane-4-carboximidate

ethyl oxane-4-carboximidate (PubChem CID 62384649) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl oxane-4-carboximidate.

Molecular Properties

Compound Nameethyl oxane-4-carboximidate
PubChem CID62384649
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl oxane-4-carboximidate
SMILES[H]/N=C(\OCC)C1CCOCC1
InChIInChI=1S/C8H15NO2/c1-2-11-8(9)7-3-5-10-6-4-7/h7,9H,2-6H2,1H3/b9-8-
InChIKeyBWDPTIYUGYJUAU-HJWRWDBZSA-N
XLogP1.43
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 oxane-4-carboximidate?
The IUPAC name of ethyl oxane-4-carboximidate (CID 62384649) is ethyl oxane-4-carboximidate.
What is the SMILES notation for ethyl oxane-4-carboximidate?
The canonical SMILES for ethyl oxane-4-carboximidate is [H]/N=C(\OCC)C1CCOCC1.
What is the InChIKey of ethyl oxane-4-carboximidate?
The InChIKey is BWDPTIYUGYJUAU-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-11-8(9)7-3-5-10-6-4-7/h7,9H,2-6H2,1H3/b9-8-.
What are the key properties of ethyl oxane-4-carboximidate?
ethyl oxane-4-carboximidate has a molecular weight of 157.21 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl oxane-4-carboximidate is sourced from PubChem (CID 62384649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).