2-(2,3-dihydro-1-benzofuran-5-yl)guanidine

C9H11N3O — CID 82648102

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)guanidine
SMILESNC(N)=Nc1ccc2c(c1)CCO2
InChIInChI=1S/C9H11N3O/c10-9(11)12-7-1-2-8-6(5-7)3-4-13-8/h1-2,5H,3-4H2,(H4,10,11,12)
InChIKeyWBMITDQCYDDLIU-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.53
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-5-yl)guanidine

2-(2,3-dihydro-1-benzofuran-5-yl)guanidine (PubChem CID 82648102) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)guanidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)guanidine
PubChem CID82648102
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)guanidine
SMILESNC(N)=Nc1ccc2c(c1)CCO2
InChIInChI=1S/C9H11N3O/c10-9(11)12-7-1-2-8-6(5-7)3-4-13-8/h1-2,5H,3-4H2,(H4,10,11,12)
InChIKeyWBMITDQCYDDLIU-UHFFFAOYSA-N
XLogP0.53
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
6-nitroso-2,3-dihydro-1-benzofuran
CID 143738609
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
5-isocyano-2,3-dihydro-1-benzofuran
CID 83479252
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine
CID 62481468
N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride
CID 112756407
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836
2,3-dihydro-1-benzofuran-5-sulfinic acid
CID 22069128
(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenol
CID 90352085

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)guanidine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)guanidine (CID 82648102) is 2-(2,3-dihydro-1-benzofuran-5-yl)guanidine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)guanidine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)guanidine is NC(N)=Nc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)guanidine?
The InChIKey is WBMITDQCYDDLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-9(11)12-7-1-2-8-6(5-7)3-4-13-8/h1-2,5H,3-4H2,(H4,10,11,12).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)guanidine?
2-(2,3-dihydro-1-benzofuran-5-yl)guanidine has a molecular weight of 177.21 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)guanidine is sourced from PubChem (CID 82648102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).