N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide

C11H12N2O4 — CID 3069472

IUPACN'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide
SMILESCOc1cc2cc(C(N)=NO)oc2cc1OC
InChIInChI=1S/C11H12N2O4/c1-15-8-3-6-4-10(11(12)13-14)17-7(6)5-9(8)16-2/h3-5,14H,1-2H3,(H2,12,13)
InChIKeyQFUCMVPGBOQXAE-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.54
Rot. Bonds3

About N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide

N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide (PubChem CID 3069472) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide
PubChem CID3069472
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC NameN'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide
SMILESCOc1cc2cc(C(N)=NO)oc2cc1OC
InChIInChI=1S/C11H12N2O4/c1-15-8-3-6-4-10(11(12)13-14)17-7(6)5-9(8)16-2/h3-5,14H,1-2H3,(H2,12,13)
InChIKeyQFUCMVPGBOQXAE-UHFFFAOYSA-N
XLogP1.54
TPSA90.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5,6-dimethoxy-1-benzofuran
CID 142737162
6-iodo-5-methoxy-1-benzofuran-2-carbothioic S-acid
CID 163960356
2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran
CID 11441952
(NZ)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine
CID 134151517
(NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine
CID 134146904
N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide
CID 19437932
methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate
CID 165463721
ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate
CID 134180527
N'-hydroxy-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride
CID 88825961
4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 83881115
N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
CID 77065913
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide?
The IUPAC name of N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide (CID 3069472) is N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide is COc1cc2cc(C(N)=NO)oc2cc1OC.
What is the InChIKey of N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide?
The InChIKey is QFUCMVPGBOQXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-15-8-3-6-4-10(11(12)13-14)17-7(6)5-9(8)16-2/h3-5,14H,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide?
N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide has a molecular weight of 236.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5,6-dimethoxy-1-benzofuran-2-carboximidamide is sourced from PubChem (CID 3069472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).