[5-(hydroxymethyl)furan-2-yl]methylazanium chloride

C6H10ClNO2 — CID 21156140

IUPAC[5-(hydroxymethyl)furan-2-yl]methylazanium chloride
SMILES[Cl-].[NH3+]Cc1ccc(CO)o1
InChIInChI=1S/C6H9NO2.ClH/c7-3-5-1-2-6(4-8)9-5;/h1-2,8H,3-4,7H2;1H
InChIKeyOVDIFUWDEAVLJT-UHFFFAOYSA-N
MW163.60 g/mol
LogP-3.48
Rot. Bonds2

About [5-(hydroxymethyl)furan-2-yl]methylazanium chloride

[5-(hydroxymethyl)furan-2-yl]methylazanium chloride (PubChem CID 21156140) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is [5-(hydroxymethyl)furan-2-yl]methylazanium chloride.

Molecular Properties

Compound Name[5-(hydroxymethyl)furan-2-yl]methylazanium chloride
PubChem CID21156140
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name[5-(hydroxymethyl)furan-2-yl]methylazanium chloride
SMILES[Cl-].[NH3+]Cc1ccc(CO)o1
InChIInChI=1S/C6H9NO2.ClH/c7-3-5-1-2-6(4-8)9-5;/h1-2,8H,3-4,7H2;1H
InChIKeyOVDIFUWDEAVLJT-UHFFFAOYSA-N
XLogP-3.48
TPSA61.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 5-3.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)furan-2-yl]methylazanium chloride?
The IUPAC name of [5-(hydroxymethyl)furan-2-yl]methylazanium chloride (CID 21156140) is [5-(hydroxymethyl)furan-2-yl]methylazanium chloride.
What is the SMILES notation for [5-(hydroxymethyl)furan-2-yl]methylazanium chloride?
The canonical SMILES for [5-(hydroxymethyl)furan-2-yl]methylazanium chloride is [Cl-].[NH3+]Cc1ccc(CO)o1.
What is the InChIKey of [5-(hydroxymethyl)furan-2-yl]methylazanium chloride?
The InChIKey is OVDIFUWDEAVLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.ClH/c7-3-5-1-2-6(4-8)9-5;/h1-2,8H,3-4,7H2;1H.
What are the key properties of [5-(hydroxymethyl)furan-2-yl]methylazanium chloride?
[5-(hydroxymethyl)furan-2-yl]methylazanium chloride has a molecular weight of 163.60 g/mol, XLogP of -3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)furan-2-yl]methylazanium chloride is sourced from PubChem (CID 21156140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).