[(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride

C13H14ClNO2 — CID 10586876

IUPAC[(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride
SMILESC[C@H]([NH3+])Cc1c2ccoc2cc2ccoc12.[Cl-]
InChIInChI=1S/C13H13NO2.ClH/c1-8(14)6-11-10-3-5-15-12(10)7-9-2-4-16-13(9)11;/h2-5,7-8H,6,14H2,1H3;1H/t8-;/m0./s1
InChIKeyNEXBRZPFGXOCSI-QRPNPIFTSA-N
MW251.71 g/mol
LogP-0.64
Rot. Bonds2

About [(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride

[(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride (PubChem CID 10586876) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is [(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride
PubChem CID10586876
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name[(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride
SMILESC[C@H]([NH3+])Cc1c2ccoc2cc2ccoc12.[Cl-]
InChIInChI=1S/C13H13NO2.ClH/c1-8(14)6-11-10-3-5-15-12(10)7-9-2-4-16-13(9)11;/h2-5,7-8H,6,14H2,1H3;1H/t8-;/m0./s1
InChIKeyNEXBRZPFGXOCSI-QRPNPIFTSA-N
XLogP-0.64
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride?
The IUPAC name of [(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride (CID 10586876) is [(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride.
What is the SMILES notation for [(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride?
The canonical SMILES for [(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride is C[C@H]([NH3+])Cc1c2ccoc2cc2ccoc12.[Cl-].
What is the InChIKey of [(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride?
The InChIKey is NEXBRZPFGXOCSI-QRPNPIFTSA-N. The full InChI is InChI=1S/C13H13NO2.ClH/c1-8(14)6-11-10-3-5-15-12(10)7-9-2-4-16-13(9)11;/h2-5,7-8H,6,14H2,1H3;1H/t8-;/m0./s1.
What are the key properties of [(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride?
[(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride has a molecular weight of 251.71 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-furo[2,3-f][1]benzofuran-4-ylpropan-2-yl]azanium chloride is sourced from PubChem (CID 10586876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).