7-amino-3H-2-benzofuran-1-one

C8H7NO2 — CID 10909726

IUPAC7-amino-3H-2-benzofuran-1-one
SMILESNc1cccc2c1C(=O)OC2
InChIInChI=1S/C8H7NO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4,9H2
InChIKeyZOKRDQGDSFSYSE-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.94
Rot. Bonds

About 7-amino-3H-2-benzofuran-1-one

7-amino-3H-2-benzofuran-1-one (PubChem CID 10909726) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 7-amino-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name7-amino-3H-2-benzofuran-1-one
PubChem CID10909726
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name7-amino-3H-2-benzofuran-1-one
SMILESNc1cccc2c1C(=O)OC2
InChIInChI=1S/C8H7NO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4,9H2
InChIKeyZOKRDQGDSFSYSE-UHFFFAOYSA-N
XLogP0.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.94
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 7-amino-3H-2-benzofuran-1-one?
The IUPAC name of 7-amino-3H-2-benzofuran-1-one (CID 10909726) is 7-amino-3H-2-benzofuran-1-one.
What is the SMILES notation for 7-amino-3H-2-benzofuran-1-one?
The canonical SMILES for 7-amino-3H-2-benzofuran-1-one is Nc1cccc2c1C(=O)OC2.
What is the InChIKey of 7-amino-3H-2-benzofuran-1-one?
The InChIKey is ZOKRDQGDSFSYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4,9H2.
What are the key properties of 7-amino-3H-2-benzofuran-1-one?
7-amino-3H-2-benzofuran-1-one has a molecular weight of 149.15 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3H-2-benzofuran-1-one is sourced from PubChem (CID 10909726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).