3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one

C24H21NO4 — CID 24999170

IUPAC3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cc2cccc(OC3CC4CCC(C3)N4)c2o1
InChIInChI=1S/C24H21NO4/c26-24-19(10-14-4-1-2-6-20(14)29-24)22-11-15-5-3-7-21(23(15)28-22)27-18-12-16-8-9-17(13-18)25-16/h1-7,10-11,16-18,25H,8-9,12-13H2
InChIKeyWLMUMEBBRPBNLP-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.87
Rot. Bonds3

About 3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one

3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one (PubChem CID 24999170) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one.

Molecular Properties

Compound Name3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one
PubChem CID24999170
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cc2cccc(OC3CC4CCC(C3)N4)c2o1
InChIInChI=1S/C24H21NO4/c26-24-19(10-14-4-1-2-6-20(14)29-24)22-11-15-5-3-7-21(23(15)28-22)27-18-12-16-8-9-17(13-18)25-16/h1-7,10-11,16-18,25H,8-9,12-13H2
InChIKeyWLMUMEBBRPBNLP-UHFFFAOYSA-N
XLogP4.87
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one?
The IUPAC name of 3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one (CID 24999170) is 3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one.
What is the SMILES notation for 3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one?
The canonical SMILES for 3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one is O=c1oc2ccccc2cc1-c1cc2cccc(OC3CC4CCC(C3)N4)c2o1.
What is the InChIKey of 3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one?
The InChIKey is WLMUMEBBRPBNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-24-19(10-14-4-1-2-6-20(14)29-24)22-11-15-5-3-7-21(23(15)28-22)27-18-12-16-8-9-17(13-18)25-16/h1-7,10-11,16-18,25H,8-9,12-13H2.
What are the key properties of 3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one?
3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one has a molecular weight of 387.44 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one is sourced from PubChem (CID 24999170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).