2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide

C10H12N2O2 — CID 83878008

IUPAC2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1cccc2c1OCC2)=N\O
InChIInChI=1S/C10H12N2O2/c11-9(12-13)6-8-3-1-2-7-4-5-14-10(7)8/h1-3,13H,4-6H2,(H2,11,12)
InChIKeyYGWNPILHIGYWHH-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.91
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide

2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide (PubChem CID 83878008) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide
PubChem CID83878008
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1cccc2c1OCC2)=N\O
InChIInChI=1S/C10H12N2O2/c11-9(12-13)6-8-3-1-2-7-4-5-14-10(7)8/h1-3,13H,4-6H2,(H2,11,12)
InChIKeyYGWNPILHIGYWHH-UHFFFAOYSA-N
XLogP0.91
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.91
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

ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate
CID 114746699
7-(isocyanatomethyl)-2,3-dihydro-1-benzofuran
CID 117277211
(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312
3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
CID 170866001
ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate
CID 114746816
7-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481550
3-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylpropanoic acid
CID 117314085
2,3-dihydro-1-benzofuran-7-amine;hydrobromide
CID 168986288
3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
CID 114746889
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal
CID 114746856
7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran
CID 114747068

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide (CID 83878008) is 2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide is N/C(Cc1cccc2c1OCC2)=N\O.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide?
The InChIKey is YGWNPILHIGYWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-9(12-13)6-8-3-1-2-7-4-5-14-10(7)8/h1-3,13H,4-6H2,(H2,11,12).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide?
2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide has a molecular weight of 192.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 83878008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).