2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide

C11H12N2O2 — CID 57368784

IUPAC2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide
SMILESCCc1oc2ccccc2c1C(N)=NO
InChIInChI=1S/C11H12N2O2/c1-2-8-10(11(12)13-14)7-5-3-4-6-9(7)15-8/h3-6,14H,2H2,1H3,(H2,12,13)
InChIKeyANLQQUZJPSPFMR-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.09
Rot. Bonds2

About 2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide

2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide (PubChem CID 57368784) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide
PubChem CID57368784
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide
SMILESCCc1oc2ccccc2c1C(N)=NO
InChIInChI=1S/C11H12N2O2/c1-2-8-10(11(12)13-14)7-5-3-4-6-9(7)15-8/h3-6,14H,2H2,1H3,(H2,12,13)
InChIKeyANLQQUZJPSPFMR-UHFFFAOYSA-N
XLogP2.09
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide
CID 54396511
2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one
CID 63497652
N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine
CID 57355898
1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one
CID 62957846
2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine
CID 8825933
1-(2-ethyl-1-benzofuran-3-yl)-2-methylpentan-1-one
CID 63496415
(Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine
CID 101116773
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 47120041
N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide
CID 163506559
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone;molecular hydrogen
CID 158208246
1-(2-ethyl-1-benzofuran-3-yl)-2-(4-hydroxy-3,5-diiodophenyl)ethanone
CID 10602323
(2-ethyl-1-benzofuran-3-yl)-(2-methyloxolan-3-yl)methanone
CID 79759524

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide (CID 57368784) is 2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide is CCc1oc2ccccc2c1C(N)=NO.
What is the InChIKey of 2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide?
The InChIKey is ANLQQUZJPSPFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-8-10(11(12)13-14)7-5-3-4-6-9(7)15-8/h3-6,14H,2H2,1H3,(H2,12,13).
What are the key properties of 2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide?
2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide has a molecular weight of 204.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide is sourced from PubChem (CID 57368784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).