1,2-benzoxazonin-3-one

C11H9NO2 — CID 154177655

IUPAC1,2-benzoxazonin-3-one
SMILESO=c1ccccc2ccccc2o[nH]1
InChIInChI=1S/C11H9NO2/c13-11-8-4-2-6-9-5-1-3-7-10(9)14-12-11/h1-8H,(H,12,13)/b6-2-,8-4-
InChIKeyZWEJJUAUYKLNGW-UIOOTCRHSA-N
MW187.20 g/mol
LogP2.25
Rot. Bonds

About 1,2-benzoxazonin-3-one

1,2-benzoxazonin-3-one (PubChem CID 154177655) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1,2-benzoxazonin-3-one.

Molecular Properties

Compound Name1,2-benzoxazonin-3-one
PubChem CID154177655
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name1,2-benzoxazonin-3-one
SMILESO=c1ccccc2ccccc2o[nH]1
InChIInChI=1S/C11H9NO2/c13-11-8-4-2-6-9-5-1-3-7-10(9)14-12-11/h1-8H,(H,12,13)/b6-2-,8-4-
InChIKeyZWEJJUAUYKLNGW-UIOOTCRHSA-N
XLogP2.25
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3(2H)-Isoxazolone, 5-phenyl-
CID 70318
2-Propenamide, 3-(4-hydroxyphenyl)-, (2E)-
CID 16637983
(E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide
CID 71622957
(E)-N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 44441651
3(2H)-Isoxazolone, 4-methyl-5-phenyl-
CID 3845653
(E)-N-hydroxy-3-(2-hydroxyphenyl)prop-2-enamide
CID 44441649
(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 142522237
N-[4-(trifluoromethyl)phenoxy]acetamide
CID 162546353
3-(2-Hydroxyphenyl)prop-2-enamide
CID 127016
N-(4-methylphenoxy)acetamide
CID 10654597
o-Coumaric acid amide
CID 12538020
Benzoxazepinone
CID 19981944

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazonin-3-one?
The IUPAC name of 1,2-benzoxazonin-3-one (CID 154177655) is 1,2-benzoxazonin-3-one.
What is the SMILES notation for 1,2-benzoxazonin-3-one?
The canonical SMILES for 1,2-benzoxazonin-3-one is O=c1ccccc2ccccc2o[nH]1.
What is the InChIKey of 1,2-benzoxazonin-3-one?
The InChIKey is ZWEJJUAUYKLNGW-UIOOTCRHSA-N. The full InChI is InChI=1S/C11H9NO2/c13-11-8-4-2-6-9-5-1-3-7-10(9)14-12-11/h1-8H,(H,12,13)/b6-2-,8-4-.
What are the key properties of 1,2-benzoxazonin-3-one?
1,2-benzoxazonin-3-one has a molecular weight of 187.20 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazonin-3-one is sourced from PubChem (CID 154177655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).