methyl N-methylfuran-2-carboximidate

C7H9NO2 — CID 14932918

IUPACmethyl N-methylfuran-2-carboximidate
SMILESC/N=C(\OC)c1ccco1
InChIInChI=1S/C7H9NO2/c1-8-7(9-2)6-4-3-5-10-6/h3-5H,1-2H3/b8-7-
InChIKeyPJZYSWRTQCCGFO-FPLPWBNLSA-N
MW139.15 g/mol
LogP1.30
Rot. Bonds1

About methyl N-methylfuran-2-carboximidate

methyl N-methylfuran-2-carboximidate (PubChem CID 14932918) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is methyl N-methylfuran-2-carboximidate.

Molecular Properties

Compound Namemethyl N-methylfuran-2-carboximidate
PubChem CID14932918
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Namemethyl N-methylfuran-2-carboximidate
SMILESC/N=C(\OC)c1ccco1
InChIInChI=1S/C7H9NO2/c1-8-7(9-2)6-4-3-5-10-6/h3-5H,1-2H3/b8-7-
InChIKeyPJZYSWRTQCCGFO-FPLPWBNLSA-N
XLogP1.30
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.30
H-Bond Donors ≤ 50
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 N-methylfuran-2-carboximidate?
The IUPAC name of methyl N-methylfuran-2-carboximidate (CID 14932918) is methyl N-methylfuran-2-carboximidate.
What is the SMILES notation for methyl N-methylfuran-2-carboximidate?
The canonical SMILES for methyl N-methylfuran-2-carboximidate is C/N=C(\OC)c1ccco1.
What is the InChIKey of methyl N-methylfuran-2-carboximidate?
The InChIKey is PJZYSWRTQCCGFO-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H9NO2/c1-8-7(9-2)6-4-3-5-10-6/h3-5H,1-2H3/b8-7-.
What are the key properties of methyl N-methylfuran-2-carboximidate?
methyl N-methylfuran-2-carboximidate has a molecular weight of 139.15 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methylfuran-2-carboximidate is sourced from PubChem (CID 14932918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).