methyl oxane-4-carboximidate

C7H13NO2 — CID 62384647

IUPACmethyl oxane-4-carboximidate
SMILES[H]/N=C(\OC)C1CCOCC1
InChIInChI=1S/C7H13NO2/c1-9-7(8)6-2-4-10-5-3-6/h6,8H,2-5H2,1H3/b8-7-
InChIKeyMKIJGQSXJXJHNV-FPLPWBNLSA-N
MW143.19 g/mol
LogP1.04
Rot. Bonds1

About methyl oxane-4-carboximidate

methyl oxane-4-carboximidate (PubChem CID 62384647) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl oxane-4-carboximidate.

Molecular Properties

Compound Namemethyl oxane-4-carboximidate
PubChem CID62384647
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl oxane-4-carboximidate
SMILES[H]/N=C(\OC)C1CCOCC1
InChIInChI=1S/C7H13NO2/c1-9-7(8)6-2-4-10-5-3-6/h6,8H,2-5H2,1H3/b8-7-
InChIKeyMKIJGQSXJXJHNV-FPLPWBNLSA-N
XLogP1.04
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.04
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 methyl oxane-4-carboximidate?
The IUPAC name of methyl oxane-4-carboximidate (CID 62384647) is methyl oxane-4-carboximidate.
What is the SMILES notation for methyl oxane-4-carboximidate?
The canonical SMILES for methyl oxane-4-carboximidate is [H]/N=C(\OC)C1CCOCC1.
What is the InChIKey of methyl oxane-4-carboximidate?
The InChIKey is MKIJGQSXJXJHNV-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H13NO2/c1-9-7(8)6-2-4-10-5-3-6/h6,8H,2-5H2,1H3/b8-7-.
What are the key properties of methyl oxane-4-carboximidate?
methyl oxane-4-carboximidate has a molecular weight of 143.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl oxane-4-carboximidate is sourced from PubChem (CID 62384647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).