furan-3-amine;hydrochloride

C4H6ClNO — CID 91756122

IUPACfuran-3-amine;hydrochloride
SMILESCl.Nc1ccoc1
InChIInChI=1S/C4H5NO.ClH/c5-4-1-2-6-3-4;/h1-3H,5H2;1H
InChIKeyTWYGYTJYBWFGFE-UHFFFAOYSA-N
MW119.55 g/mol
LogP1.28
Rot. Bonds

About furan-3-amine;hydrochloride

furan-3-amine;hydrochloride (PubChem CID 91756122) has the molecular formula C4H6ClNO and a molecular weight of 119.55 g/mol. Its IUPAC name is furan-3-amine;hydrochloride.

Molecular Properties

Compound Namefuran-3-amine;hydrochloride
PubChem CID91756122
Molecular FormulaC4H6ClNO
Molecular Weight119.55 g/mol
Exact Mass119.01
IUPAC Namefuran-3-amine;hydrochloride
SMILESCl.Nc1ccoc1
InChIInChI=1S/C4H5NO.ClH/c5-4-1-2-6-3-4;/h1-3H,5H2;1H
InChIKeyTWYGYTJYBWFGFE-UHFFFAOYSA-N
XLogP1.28
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.55
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of furan-3-amine;hydrochloride?
The IUPAC name of furan-3-amine;hydrochloride (CID 91756122) is furan-3-amine;hydrochloride.
What is the SMILES notation for furan-3-amine;hydrochloride?
The canonical SMILES for furan-3-amine;hydrochloride is Cl.Nc1ccoc1.
What is the InChIKey of furan-3-amine;hydrochloride?
The InChIKey is TWYGYTJYBWFGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.ClH/c5-4-1-2-6-3-4;/h1-3H,5H2;1H.
What are the key properties of furan-3-amine;hydrochloride?
furan-3-amine;hydrochloride has a molecular weight of 119.55 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-amine;hydrochloride is sourced from PubChem (CID 91756122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).