furan-2-ylmethylazanium

C5H8NO+ — CID 5156022

IUPACfuran-2-ylmethylazanium
SMILES[NH3+]Cc1ccco1
InChIInChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2/p+1
InChIKeyDDRPCXLAQZKBJP-UHFFFAOYSA-O
MW98.12 g/mol
LogP0.02
Rot. Bonds1

About furan-2-ylmethylazanium

furan-2-ylmethylazanium (PubChem CID 5156022) has the molecular formula C5H8NO+ and a molecular weight of 98.12 g/mol. Its IUPAC name is furan-2-ylmethylazanium.

Molecular Properties

Compound Namefuran-2-ylmethylazanium
PubChem CID5156022
Molecular FormulaC5H8NO+
Molecular Weight98.12 g/mol
Exact Mass98.06
IUPAC Namefuran-2-ylmethylazanium
SMILES[NH3+]Cc1ccco1
InChIInChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2/p+1
InChIKeyDDRPCXLAQZKBJP-UHFFFAOYSA-O
XLogP0.02
TPSA40.78 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.12
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethylazanium?
The IUPAC name of furan-2-ylmethylazanium (CID 5156022) is furan-2-ylmethylazanium.
What is the SMILES notation for furan-2-ylmethylazanium?
The canonical SMILES for furan-2-ylmethylazanium is [NH3+]Cc1ccco1.
What is the InChIKey of furan-2-ylmethylazanium?
The InChIKey is DDRPCXLAQZKBJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2/p+1.
What are the key properties of furan-2-ylmethylazanium?
furan-2-ylmethylazanium has a molecular weight of 98.12 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethylazanium is sourced from PubChem (CID 5156022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).