benzo[d][1,3,7]benzodioxazonin-6-one

C14H9NO3 — CID 42644773

IUPACbenzo[d][1,3,7]benzodioxazonin-6-one
SMILESO=c1oc2ccccc2cnc2ccccc2o1
InChIInChI=1S/C14H9NO3/c16-14-17-12-7-3-1-5-10(12)9-15-11-6-2-4-8-13(11)18-14/h1-9H/b15-9-
InChIKeyHMJFSKWOEBFVBY-DHDCSXOGSA-N
MW239.23 g/mol
LogP3.06
Rot. Bonds

About benzo[d][1,3,7]benzodioxazonin-6-one

benzo[d][1,3,7]benzodioxazonin-6-one (PubChem CID 42644773) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is benzo[d][1,3,7]benzodioxazonin-6-one.

Molecular Properties

Compound Namebenzo[d][1,3,7]benzodioxazonin-6-one
PubChem CID42644773
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Namebenzo[d][1,3,7]benzodioxazonin-6-one
SMILESO=c1oc2ccccc2cnc2ccccc2o1
InChIInChI=1S/C14H9NO3/c16-14-17-12-7-3-1-5-10(12)9-15-11-6-2-4-8-13(11)18-14/h1-9H/b15-9-
InChIKeyHMJFSKWOEBFVBY-DHDCSXOGSA-N
XLogP3.06
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-benzoxazin-2-one;hydrochloride
CID 154928875
1,3-benzoxazin-2-one;hydrochloride
CID 70077294
chromen-2-one;quinoxaline
CID 174951370
pyrano[3,2-c]isoquinolin-2-one
CID 44521863
chromen-2-one;copper
CID 175033656
1,3-benzoxazole;naphthalene
CID 69020592
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
acridin-9-amine;chromen-2-one;hydrochloride
CID 88505410
2-[3,5-bis[3,5-di(quinolin-3-yl)phenyl]phenyl]-1,3-benzoxazole
CID 58479999
phenanthridine
CID 9189
CID 175559318
CID 175559318
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121

Frequently Asked Questions

What is the IUPAC name of benzo[d][1,3,7]benzodioxazonin-6-one?
The IUPAC name of benzo[d][1,3,7]benzodioxazonin-6-one (CID 42644773) is benzo[d][1,3,7]benzodioxazonin-6-one.
What is the SMILES notation for benzo[d][1,3,7]benzodioxazonin-6-one?
The canonical SMILES for benzo[d][1,3,7]benzodioxazonin-6-one is O=c1oc2ccccc2cnc2ccccc2o1.
What is the InChIKey of benzo[d][1,3,7]benzodioxazonin-6-one?
The InChIKey is HMJFSKWOEBFVBY-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H9NO3/c16-14-17-12-7-3-1-5-10(12)9-15-11-6-2-4-8-13(11)18-14/h1-9H/b15-9-.
What are the key properties of benzo[d][1,3,7]benzodioxazonin-6-one?
benzo[d][1,3,7]benzodioxazonin-6-one has a molecular weight of 239.23 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[d][1,3,7]benzodioxazonin-6-one is sourced from PubChem (CID 42644773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).