3-(4-aminophenyl)-2H-furan-5-one

C10H9NO2 — CID 91622340

IUPAC3-(4-aminophenyl)-2H-furan-5-one
SMILESNc1ccc(C2=CC(=O)OC2)cc1
InChIInChI=1S/C10H9NO2/c11-9-3-1-7(2-4-9)8-5-10(12)13-6-8/h1-5H,6,11H2
InChIKeyKDRMNSJOGGKGNE-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.21
Rot. Bonds1

About 3-(4-aminophenyl)-2H-furan-5-one

3-(4-aminophenyl)-2H-furan-5-one (PubChem CID 91622340) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-(4-aminophenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-2H-furan-5-one
PubChem CID91622340
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-(4-aminophenyl)-2H-furan-5-one
SMILESNc1ccc(C2=CC(=O)OC2)cc1
InChIInChI=1S/C10H9NO2/c11-9-3-1-7(2-4-9)8-5-10(12)13-6-8/h1-5H,6,11H2
InChIKeyKDRMNSJOGGKGNE-UHFFFAOYSA-N
XLogP1.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-2H-furan-5-one?
The IUPAC name of 3-(4-aminophenyl)-2H-furan-5-one (CID 91622340) is 3-(4-aminophenyl)-2H-furan-5-one.
What is the SMILES notation for 3-(4-aminophenyl)-2H-furan-5-one?
The canonical SMILES for 3-(4-aminophenyl)-2H-furan-5-one is Nc1ccc(C2=CC(=O)OC2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-2H-furan-5-one?
The InChIKey is KDRMNSJOGGKGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c11-9-3-1-7(2-4-9)8-5-10(12)13-6-8/h1-5H,6,11H2.
What are the key properties of 3-(4-aminophenyl)-2H-furan-5-one?
3-(4-aminophenyl)-2H-furan-5-one has a molecular weight of 175.19 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-2H-furan-5-one is sourced from PubChem (CID 91622340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).