3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one

C15H11NO3 — CID 162407374

IUPAC3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one
SMILESO=C1C=CC2(C=C1)CC(C(=O)c1ccccc1)=NO2
InChIInChI=1S/C15H11NO3/c17-12-6-8-15(9-7-12)10-13(16-19-15)14(18)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyODXYJVOLUPZXKN-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.08
Rot. Bonds2

About 3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one

3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one (PubChem CID 162407374) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one.

Molecular Properties

Compound Name3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one
PubChem CID162407374
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one
SMILESO=C1C=CC2(C=C1)CC(C(=O)c1ccccc1)=NO2
InChIInChI=1S/C15H11NO3/c17-12-6-8-15(9-7-12)10-13(16-19-15)14(18)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyODXYJVOLUPZXKN-UHFFFAOYSA-N
XLogP2.08
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Xeppcvkkxlbyar-uhfffaoysa-
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CID 6114507
(2Z)-2-hydroxyimino-1-phenylbutan-1-one
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3-Benzoyl-4,5-dihydro-5-isoxazoleacetonitrile
CID 13809952
3a,4,5,6,7,7a-Hexahydro-1,2-benzoxazol-3-yl(phenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one?
The IUPAC name of 3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one (CID 162407374) is 3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one.
What is the SMILES notation for 3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one?
The canonical SMILES for 3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one is O=C1C=CC2(C=C1)CC(C(=O)c1ccccc1)=NO2.
What is the InChIKey of 3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one?
The InChIKey is ODXYJVOLUPZXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-12-6-8-15(9-7-12)10-13(16-19-15)14(18)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one?
3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one has a molecular weight of 253.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one is sourced from PubChem (CID 162407374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).