N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide

C9H10N2O3 — CID 153262456

IUPACN',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide
SMILESNC(=NO)c1cc2c(cc1O)OCC2
InChIInChI=1S/C9H10N2O3/c10-9(11-13)6-3-5-1-2-14-8(5)4-7(6)12/h3-4,12-13H,1-2H2,(H2,10,11)
InChIKeyWVMZBWDLJDHDJI-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.42
Rot. Bonds1

About N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide

N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide (PubChem CID 153262456) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide
PubChem CID153262456
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC NameN',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide
SMILESNC(=NO)c1cc2c(cc1O)OCC2
InChIInChI=1S/C9H10N2O3/c10-9(11-13)6-3-5-1-2-14-8(5)4-7(6)12/h3-4,12-13H,1-2H2,(H2,10,11)
InChIKeyWVMZBWDLJDHDJI-UHFFFAOYSA-N
XLogP0.42
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 22159429
N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide
CID 82492461
5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol
CID 83879252
5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 10953886
2-(2,3-dihydro-1-benzofuran-5-yl)guanidine
CID 82648102
(NE)-N-(3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-ylidene)hydroxylamine
CID 14234823
N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride
CID 112756407
6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484886
2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide
CID 83882758
6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol
CID 14484893
2-amino-1-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one
CID 96590483
N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide
CID 154659700

Frequently Asked Questions

What is the IUPAC name of N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide?
The IUPAC name of N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide (CID 153262456) is N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide.
What is the SMILES notation for N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide?
The canonical SMILES for N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide is NC(=NO)c1cc2c(cc1O)OCC2.
What is the InChIKey of N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide?
The InChIKey is WVMZBWDLJDHDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-9(11-13)6-3-5-1-2-14-8(5)4-7(6)12/h3-4,12-13H,1-2H2,(H2,10,11).
What are the key properties of N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide?
N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide has a molecular weight of 194.19 g/mol, XLogP of 0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 153262456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).