methyl furan-3-carboximidate;hydrochloride

C6H8ClNO2 — CID 131855009

IUPACmethyl furan-3-carboximidate;hydrochloride
SMILESCl.[H]/N=C(\OC)c1ccoc1
InChIInChI=1S/C6H7NO2.ClH/c1-8-6(7)5-2-3-9-4-5;/h2-4,7H,1H3;1H/b7-6-;
InChIKeyUORAJOVYLFBFJM-NAFXZHHSSA-N
MW161.59 g/mol
LogP1.67
Rot. Bonds1

About methyl furan-3-carboximidate;hydrochloride

methyl furan-3-carboximidate;hydrochloride (PubChem CID 131855009) has the molecular formula C6H8ClNO2 and a molecular weight of 161.59 g/mol. Its IUPAC name is methyl furan-3-carboximidate;hydrochloride.

Molecular Properties

Compound Namemethyl furan-3-carboximidate;hydrochloride
PubChem CID131855009
Molecular FormulaC6H8ClNO2
Molecular Weight161.59 g/mol
Exact Mass161.02
IUPAC Namemethyl furan-3-carboximidate;hydrochloride
SMILESCl.[H]/N=C(\OC)c1ccoc1
InChIInChI=1S/C6H7NO2.ClH/c1-8-6(7)5-2-3-9-4-5;/h2-4,7H,1H3;1H/b7-6-;
InChIKeyUORAJOVYLFBFJM-NAFXZHHSSA-N
XLogP1.67
TPSA46.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 51.67
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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Related Compounds

3-Furylmethyl acetate
CID 566611
3-(But-2-ynoxymethyl)furan
CID 85904767
3-(Methoxymethyl)furan
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3-(3-Methylbut-2-enoxymethyl)furan
CID 25233186
3-(Prop-2-enoxymethyl)furan
CID 86185128
3-Furancarboselenoamide
CID 129793824
[(4R)-2-(furan-3-yl)-4-methyl-5H-1,3-oxazol-4-yl]methanol
CID 130809019
3-(2-Methylprop-2-enoxymethyl)furan
CID 135083642
Furan-3-ylmethyl carbamate
CID 10149001
3-(Ethenoxymethyl)furan
CID 18340923
5-Furan-3-yl-[1,3,4]oxadiazole-2-thiol
CID 18935368
3-Methoxymethyl-2-trimethylstannylfuran
CID 19390950

Frequently Asked Questions

What is the IUPAC name of methyl furan-3-carboximidate;hydrochloride?
The IUPAC name of methyl furan-3-carboximidate;hydrochloride (CID 131855009) is methyl furan-3-carboximidate;hydrochloride.
What is the SMILES notation for methyl furan-3-carboximidate;hydrochloride?
The canonical SMILES for methyl furan-3-carboximidate;hydrochloride is Cl.[H]/N=C(\OC)c1ccoc1.
What is the InChIKey of methyl furan-3-carboximidate;hydrochloride?
The InChIKey is UORAJOVYLFBFJM-NAFXZHHSSA-N. The full InChI is InChI=1S/C6H7NO2.ClH/c1-8-6(7)5-2-3-9-4-5;/h2-4,7H,1H3;1H/b7-6-;.
What are the key properties of methyl furan-3-carboximidate;hydrochloride?
methyl furan-3-carboximidate;hydrochloride has a molecular weight of 161.59 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl furan-3-carboximidate;hydrochloride is sourced from PubChem (CID 131855009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).