7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one

C17H19NO3 — CID 75274769

IUPAC7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one
SMILESCc1cc2ccc(OC3CC4CCC(C3)N4)cc2oc1=O
InChIInChI=1S/C17H19NO3/c1-10-6-11-2-5-14(9-16(11)21-17(10)19)20-15-7-12-3-4-13(8-15)18-12/h2,5-6,9,12-13,15,18H,3-4,7-8H2,1H3
InChIKeySWKLMDBCVNPALW-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.76
Rot. Bonds2

About 7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one

7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one (PubChem CID 75274769) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one.

Molecular Properties

Compound Name7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one
PubChem CID75274769
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one
SMILESCc1cc2ccc(OC3CC4CCC(C3)N4)cc2oc1=O
InChIInChI=1S/C17H19NO3/c1-10-6-11-2-5-14(9-16(11)21-17(10)19)20-15-7-12-3-4-13(8-15)18-12/h2,5-6,9,12-13,15,18H,3-4,7-8H2,1H3
InChIKeySWKLMDBCVNPALW-UHFFFAOYSA-N
XLogP2.76
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one?
The IUPAC name of 7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one (CID 75274769) is 7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one.
What is the SMILES notation for 7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one?
The canonical SMILES for 7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one is Cc1cc2ccc(OC3CC4CCC(C3)N4)cc2oc1=O.
What is the InChIKey of 7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one?
The InChIKey is SWKLMDBCVNPALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-10-6-11-2-5-14(9-16(11)21-17(10)19)20-15-7-12-3-4-13(8-15)18-12/h2,5-6,9,12-13,15,18H,3-4,7-8H2,1H3.
What are the key properties of 7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one?
7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one has a molecular weight of 285.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one is sourced from PubChem (CID 75274769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).