furan-3-ylmethanamine

C5H7NO — CID 2776197

IUPACfuran-3-ylmethanamine
SMILESNCc1ccoc1
InChIInChI=1S/C5H7NO/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2
InChIKeyXNABHFLZYMCJHE-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.74
Rot. Bonds1

About furan-3-ylmethanamine

furan-3-ylmethanamine (PubChem CID 2776197) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is furan-3-ylmethanamine.

Molecular Properties

Compound Namefuran-3-ylmethanamine
PubChem CID2776197
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Namefuran-3-ylmethanamine
SMILESNCc1ccoc1
InChIInChI=1S/C5H7NO/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2
InChIKeyXNABHFLZYMCJHE-UHFFFAOYSA-N
XLogP0.74
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethanamine?
The IUPAC name of furan-3-ylmethanamine (CID 2776197) is furan-3-ylmethanamine.
What is the SMILES notation for furan-3-ylmethanamine?
The canonical SMILES for furan-3-ylmethanamine is NCc1ccoc1.
What is the InChIKey of furan-3-ylmethanamine?
The InChIKey is XNABHFLZYMCJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2.
What are the key properties of furan-3-ylmethanamine?
furan-3-ylmethanamine has a molecular weight of 97.12 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethanamine is sourced from PubChem (CID 2776197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).