6,7-dihydro-5H-1,2-benzoxazol-4-one

C7H7NO2 — CID 11205779

IUPAC6,7-dihydro-5H-1,2-benzoxazol-4-one
SMILESO=C1CCCc2oncc21
InChIInChI=1S/C7H7NO2/c9-6-2-1-3-7-5(6)4-8-10-7/h4H,1-3H2
InChIKeyNCEXOPJPDKFRMS-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.19
Rot. Bonds

About 6,7-dihydro-5H-1,2-benzoxazol-4-one

6,7-dihydro-5H-1,2-benzoxazol-4-one (PubChem CID 11205779) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 6,7-dihydro-5H-1,2-benzoxazol-4-one.

Molecular Properties

Compound Name6,7-dihydro-5H-1,2-benzoxazol-4-one
PubChem CID11205779
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name6,7-dihydro-5H-1,2-benzoxazol-4-one
SMILESO=C1CCCc2oncc21
InChIInChI=1S/C7H7NO2/c9-6-2-1-3-7-5(6)4-8-10-7/h4H,1-3H2
InChIKeyNCEXOPJPDKFRMS-UHFFFAOYSA-N
XLogP1.19
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,7-dihydro-5H-1,2-benzoxazol-4-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 6,7-dihydro-5H-1,2-benzoxazol-4-one?
The IUPAC name of 6,7-dihydro-5H-1,2-benzoxazol-4-one (CID 11205779) is 6,7-dihydro-5H-1,2-benzoxazol-4-one.
What is the SMILES notation for 6,7-dihydro-5H-1,2-benzoxazol-4-one?
The canonical SMILES for 6,7-dihydro-5H-1,2-benzoxazol-4-one is O=C1CCCc2oncc21.
What is the InChIKey of 6,7-dihydro-5H-1,2-benzoxazol-4-one?
The InChIKey is NCEXOPJPDKFRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-6-2-1-3-7-5(6)4-8-10-7/h4H,1-3H2.
What are the key properties of 6,7-dihydro-5H-1,2-benzoxazol-4-one?
6,7-dihydro-5H-1,2-benzoxazol-4-one has a molecular weight of 137.14 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-1,2-benzoxazol-4-one is sourced from PubChem (CID 11205779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).