3-amino-4-phenyl-2H-furan-5-one

C10H9NO2 — CID 10702395

IUPAC3-amino-4-phenyl-2H-furan-5-one
SMILESNC1=C(c2ccccc2)C(=O)OC1
InChIInChI=1S/C10H9NO2/c11-8-6-13-10(12)9(8)7-4-2-1-3-5-7/h1-5H,6,11H2
InChIKeyFZPHYFSCDPLEMS-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.91
Rot. Bonds1

About 3-amino-4-phenyl-2H-furan-5-one

3-amino-4-phenyl-2H-furan-5-one (PubChem CID 10702395) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-amino-4-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name3-amino-4-phenyl-2H-furan-5-one
PubChem CID10702395
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-amino-4-phenyl-2H-furan-5-one
SMILESNC1=C(c2ccccc2)C(=O)OC1
InChIInChI=1S/C10H9NO2/c11-8-6-13-10(12)9(8)7-4-2-1-3-5-7/h1-5H,6,11H2
InChIKeyFZPHYFSCDPLEMS-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenyl-2H-furan-5-one?
The IUPAC name of 3-amino-4-phenyl-2H-furan-5-one (CID 10702395) is 3-amino-4-phenyl-2H-furan-5-one.
What is the SMILES notation for 3-amino-4-phenyl-2H-furan-5-one?
The canonical SMILES for 3-amino-4-phenyl-2H-furan-5-one is NC1=C(c2ccccc2)C(=O)OC1.
What is the InChIKey of 3-amino-4-phenyl-2H-furan-5-one?
The InChIKey is FZPHYFSCDPLEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c11-8-6-13-10(12)9(8)7-4-2-1-3-5-7/h1-5H,6,11H2.
What are the key properties of 3-amino-4-phenyl-2H-furan-5-one?
3-amino-4-phenyl-2H-furan-5-one has a molecular weight of 175.19 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 10702395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).