1-amino-2-(furan-3-yl)ethanol

C6H9NO2 — CID 67933418

IUPAC1-amino-2-(furan-3-yl)ethanol
SMILESNC(O)Cc1ccoc1
InChIInChI=1S/C6H9NO2/c7-6(8)3-5-1-2-9-4-5/h1-2,4,6,8H,3,7H2
InChIKeyROWGWOGBIUJGLX-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.10
Rot. Bonds2

About 1-amino-2-(furan-3-yl)ethanol

1-amino-2-(furan-3-yl)ethanol (PubChem CID 67933418) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-amino-2-(furan-3-yl)ethanol.

Molecular Properties

Compound Name1-amino-2-(furan-3-yl)ethanol
PubChem CID67933418
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1-amino-2-(furan-3-yl)ethanol
SMILESNC(O)Cc1ccoc1
InChIInChI=1S/C6H9NO2/c7-6(8)3-5-1-2-9-4-5/h1-2,4,6,8H,3,7H2
InChIKeyROWGWOGBIUJGLX-UHFFFAOYSA-N
XLogP0.10
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(furan-3-yl)ethanol?
The IUPAC name of 1-amino-2-(furan-3-yl)ethanol (CID 67933418) is 1-amino-2-(furan-3-yl)ethanol.
What is the SMILES notation for 1-amino-2-(furan-3-yl)ethanol?
The canonical SMILES for 1-amino-2-(furan-3-yl)ethanol is NC(O)Cc1ccoc1.
What is the InChIKey of 1-amino-2-(furan-3-yl)ethanol?
The InChIKey is ROWGWOGBIUJGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c7-6(8)3-5-1-2-9-4-5/h1-2,4,6,8H,3,7H2.
What are the key properties of 1-amino-2-(furan-3-yl)ethanol?
1-amino-2-(furan-3-yl)ethanol has a molecular weight of 127.14 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(furan-3-yl)ethanol is sourced from PubChem (CID 67933418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).