2,3-dihydro-1-benzofuran-7-carboximidamide

C9H10N2O — CID 70425952

IUPAC2,3-dihydro-1-benzofuran-7-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1OCC2
InChIInChI=1S/C9H10N2O/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2,(H3,10,11)
InChIKeyPVMWATCBXYZNDW-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.91
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-7-carboximidamide

2,3-dihydro-1-benzofuran-7-carboximidamide (PubChem CID 70425952) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-carboximidamide.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-carboximidamide
PubChem CID70425952
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2,3-dihydro-1-benzofuran-7-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1OCC2
InChIInChI=1S/C9H10N2O/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2,(H3,10,11)
InChIKeyPVMWATCBXYZNDW-UHFFFAOYSA-N
XLogP0.91
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.91
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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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-carboximidamide?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-carboximidamide (CID 70425952) is 2,3-dihydro-1-benzofuran-7-carboximidamide.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-carboximidamide?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-carboximidamide is [H]/N=C(\N)c1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-carboximidamide?
The InChIKey is PVMWATCBXYZNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2,(H3,10,11).
What are the key properties of 2,3-dihydro-1-benzofuran-7-carboximidamide?
2,3-dihydro-1-benzofuran-7-carboximidamide has a molecular weight of 162.19 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-carboximidamide is sourced from PubChem (CID 70425952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).