5-(phosphanylamino)-1-benzofuran-3-one

C8H8NO2P — CID 59485019

IUPAC5-(phosphanylamino)-1-benzofuran-3-one
SMILESO=C1COc2ccc(NP)cc21
InChIInChI=1S/C8H8NO2P/c10-7-4-11-8-2-1-5(9-12)3-6(7)8/h1-3,9H,4,12H2
InChIKeyDCWGDNILJYRDNJ-UHFFFAOYSA-N
MW181.13 g/mol
LogP1.46
Rot. Bonds1

About 5-(phosphanylamino)-1-benzofuran-3-one

5-(phosphanylamino)-1-benzofuran-3-one (PubChem CID 59485019) has the molecular formula C8H8NO2P and a molecular weight of 181.13 g/mol. Its IUPAC name is 5-(phosphanylamino)-1-benzofuran-3-one.

Molecular Properties

Compound Name5-(phosphanylamino)-1-benzofuran-3-one
PubChem CID59485019
Molecular FormulaC8H8NO2P
Molecular Weight181.13 g/mol
Exact Mass181.03
IUPAC Name5-(phosphanylamino)-1-benzofuran-3-one
SMILESO=C1COc2ccc(NP)cc21
InChIInChI=1S/C8H8NO2P/c10-7-4-11-8-2-1-5(9-12)3-6(7)8/h1-3,9H,4,12H2
InChIKeyDCWGDNILJYRDNJ-UHFFFAOYSA-N
XLogP1.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(phosphanylamino)-1-benzofuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(phosphanylamino)-1-benzofuran-3-one?
The IUPAC name of 5-(phosphanylamino)-1-benzofuran-3-one (CID 59485019) is 5-(phosphanylamino)-1-benzofuran-3-one.
What is the SMILES notation for 5-(phosphanylamino)-1-benzofuran-3-one?
The canonical SMILES for 5-(phosphanylamino)-1-benzofuran-3-one is O=C1COc2ccc(NP)cc21.
What is the InChIKey of 5-(phosphanylamino)-1-benzofuran-3-one?
The InChIKey is DCWGDNILJYRDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO2P/c10-7-4-11-8-2-1-5(9-12)3-6(7)8/h1-3,9H,4,12H2.
What are the key properties of 5-(phosphanylamino)-1-benzofuran-3-one?
5-(phosphanylamino)-1-benzofuran-3-one has a molecular weight of 181.13 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phosphanylamino)-1-benzofuran-3-one is sourced from PubChem (CID 59485019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).