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

C7H7NO2 — CID 83872246

IUPAC5,6-dihydro-4H-1,2-benzoxazol-7-one
SMILESO=C1CCCc2cnoc21
InChIInChI=1S/C7H7NO2/c9-6-3-1-2-5-4-8-10-7(5)6/h4H,1-3H2
InChIKeySBODGCGSHFVKEK-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.19
Rot. Bonds

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

5,6-dihydro-4H-1,2-benzoxazol-7-one (PubChem CID 83872246) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 5,6-dihydro-4H-1,2-benzoxazol-7-one.

Molecular Properties

Compound Name5,6-dihydro-4H-1,2-benzoxazol-7-one
PubChem CID83872246
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name5,6-dihydro-4H-1,2-benzoxazol-7-one
SMILESO=C1CCCc2cnoc21
InChIInChI=1S/C7H7NO2/c9-6-3-1-2-5-4-8-10-7(5)6/h4H,1-3H2
InChIKeySBODGCGSHFVKEK-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

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Related Compounds

4,5,6,7-Tetrahydro-1,2-benzoxazol-5-one
CID 72212519
4,5,6,7-Tetrahydrobenzisoxazole
CID 494132
6,7-dihydro-5H-benzo[d]isoxazol-4-one
CID 11205779
4,5-Decamethyleneisoxazole
CID 12536975
6,7-Dihydrobenzisoxazole-4,5-dione
CID 154724059
(6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 129519705
(6R)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 129519706
4,5,6,7-Tetrahydro-1,2-benzoxazol-6-one
CID 14036907
7,7-dimethyl-5,6-dihydro-4H-benzo[d]isoxazole
CID 24971545
5,5,7,7-Tetramethyl-4,5,6,7-tetrahydrobenzo[d]isoxazole
CID 57523624
5-Ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 70309556
4,5,6,7-Tetrahydrobenzo[d]isoxazol-5-amine hydrochloride
CID 76145532

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-1,2-benzoxazol-7-one?
The IUPAC name of 5,6-dihydro-4H-1,2-benzoxazol-7-one (CID 83872246) is 5,6-dihydro-4H-1,2-benzoxazol-7-one.
What is the SMILES notation for 5,6-dihydro-4H-1,2-benzoxazol-7-one?
The canonical SMILES for 5,6-dihydro-4H-1,2-benzoxazol-7-one is O=C1CCCc2cnoc21.
What is the InChIKey of 5,6-dihydro-4H-1,2-benzoxazol-7-one?
The InChIKey is SBODGCGSHFVKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-6-3-1-2-5-4-8-10-7(5)6/h4H,1-3H2.
What are the key properties of 5,6-dihydro-4H-1,2-benzoxazol-7-one?
5,6-dihydro-4H-1,2-benzoxazol-7-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 5,6-dihydro-4H-1,2-benzoxazol-7-one is sourced from PubChem (CID 83872246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).