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

C7H7NO3 — CID 82417010

IUPAC6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one
SMILESO=C1CC(O)Cc2oncc21
InChIInChI=1S/C7H7NO3/c9-4-1-6(10)5-3-8-11-7(5)2-4/h3-4,9H,1-2H2
InChIKeyRLVHVEWDBDVBNG-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.16
Rot. Bonds

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

6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one (PubChem CID 82417010) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one.

Molecular Properties

Compound Name6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one
PubChem CID82417010
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one
SMILESO=C1CC(O)Cc2oncc21
InChIInChI=1S/C7H7NO3/c9-4-1-6(10)5-3-8-11-7(5)2-4/h3-4,9H,1-2H2
InChIKeyRLVHVEWDBDVBNG-UHFFFAOYSA-N
XLogP0.16
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The IUPAC name of 6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one (CID 82417010) is 6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one.
What is the SMILES notation for 6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The canonical SMILES for 6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one is O=C1CC(O)Cc2oncc21.
What is the InChIKey of 6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The InChIKey is RLVHVEWDBDVBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-4-1-6(10)5-3-8-11-7(5)2-4/h3-4,9H,1-2H2.
What are the key properties of 6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one?
6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one has a molecular weight of 153.14 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6,7-dihydro-5H-1,2-benzoxazol-4-one is sourced from PubChem (CID 82417010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).