2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride

C9H12ClNO — CID 29904

IUPAC2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride
SMILES[Cl-].[NH3+]CC1Cc2ccccc2O1
InChIInChI=1S/C9H11NO.ClH/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-4,8H,5-6,10H2;1H
InChIKeyVLQHTBMTNLHCAE-UHFFFAOYSA-N
MW185.65 g/mol
LogP-2.76
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride

2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride (PubChem CID 29904) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride
PubChem CID29904
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride
SMILES[Cl-].[NH3+]CC1Cc2ccccc2O1
InChIInChI=1S/C9H11NO.ClH/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-4,8H,5-6,10H2;1H
InChIKeyVLQHTBMTNLHCAE-UHFFFAOYSA-N
XLogP-2.76
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 5-2.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride (CID 29904) is 2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride is [Cl-].[NH3+]CC1Cc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride?
The InChIKey is VLQHTBMTNLHCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-4,8H,5-6,10H2;1H.
What are the key properties of 2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride?
2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride has a molecular weight of 185.65 g/mol, XLogP of -2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-ylmethylazanium chloride is sourced from PubChem (CID 29904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).