1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride

C10H12ClNO — CID 129009824

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride
SMILESCC(=[NH2+])c1ccc2c(c1)CCO2.[Cl-]
InChIInChI=1S/C10H11NO.ClH/c1-7(11)8-2-3-10-9(6-8)4-5-12-10;/h2-3,6,11H,4-5H2,1H3;1H
InChIKeyNKRLOFIDYDHSFM-UHFFFAOYSA-N
MW197.67 g/mol
LogP-2.81
Rot. Bonds1

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

1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride (PubChem CID 129009824) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride
PubChem CID129009824
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride
SMILESCC(=[NH2+])c1ccc2c(c1)CCO2.[Cl-]
InChIInChI=1S/C10H11NO.ClH/c1-7(11)8-2-3-10-9(6-8)4-5-12-10;/h2-3,6,11H,4-5H2,1H3;1H
InChIKeyNKRLOFIDYDHSFM-UHFFFAOYSA-N
XLogP-2.81
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 5-2.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride (CID 129009824) is 1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride is CC(=[NH2+])c1ccc2c(c1)CCO2.[Cl-].
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride?
The InChIKey is NKRLOFIDYDHSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.ClH/c1-7(11)8-2-3-10-9(6-8)4-5-12-10;/h2-3,6,11H,4-5H2,1H3;1H.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride?
1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride has a molecular weight of 197.67 g/mol, XLogP of -2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneazanium chloride is sourced from PubChem (CID 129009824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).