methyl furan-2-carboximidate

C6H7NO2 — CID 13114963

IUPACmethyl furan-2-carboximidate
SMILES[H]/N=C(\OC)c1ccco1
InChIInChI=1S/C6H7NO2/c1-8-6(7)5-3-2-4-9-5/h2-4,7H,1H3/b7-6-
InChIKeyLXAAUEZVEFPTPX-SREVYHEPSA-N
MW125.13 g/mol
LogP1.25
Rot. Bonds1

About methyl furan-2-carboximidate

methyl furan-2-carboximidate (PubChem CID 13114963) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is methyl furan-2-carboximidate.

Molecular Properties

Compound Namemethyl furan-2-carboximidate
PubChem CID13114963
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Namemethyl furan-2-carboximidate
SMILES[H]/N=C(\OC)c1ccco1
InChIInChI=1S/C6H7NO2/c1-8-6(7)5-3-2-4-9-5/h2-4,7H,1H3/b7-6-
InChIKeyLXAAUEZVEFPTPX-SREVYHEPSA-N
XLogP1.25
TPSA46.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.25
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 furan-2-carboximidate?
The IUPAC name of methyl furan-2-carboximidate (CID 13114963) is methyl furan-2-carboximidate.
What is the SMILES notation for methyl furan-2-carboximidate?
The canonical SMILES for methyl furan-2-carboximidate is [H]/N=C(\OC)c1ccco1.
What is the InChIKey of methyl furan-2-carboximidate?
The InChIKey is LXAAUEZVEFPTPX-SREVYHEPSA-N. The full InChI is InChI=1S/C6H7NO2/c1-8-6(7)5-3-2-4-9-5/h2-4,7H,1H3/b7-6-.
What are the key properties of methyl furan-2-carboximidate?
methyl furan-2-carboximidate has a molecular weight of 125.13 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl furan-2-carboximidate is sourced from PubChem (CID 13114963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).