5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one

C17H21NO2 — CID 23262749

IUPAC5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one
SMILESCOc1ccc2c(c1)CCN1C2CC(=O)C2CCCC21
InChIInChI=1S/C17H21NO2/c1-20-12-5-6-13-11(9-12)7-8-18-15-4-2-3-14(15)17(19)10-16(13)18/h5-6,9,14-16H,2-4,7-8,10H2,1H3
InChIKeySJFKYMOILUYMJA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.74
Rot. Bonds1

About 5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one

5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one (PubChem CID 23262749) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one.

Molecular Properties

Compound Name5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one
PubChem CID23262749
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one
SMILESCOc1ccc2c(c1)CCN1C2CC(=O)C2CCCC21
InChIInChI=1S/C17H21NO2/c1-20-12-5-6-13-11(9-12)7-8-18-15-4-2-3-14(15)17(19)10-16(13)18/h5-6,9,14-16H,2-4,7-8,10H2,1H3
InChIKeySJFKYMOILUYMJA-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one with MolForge

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Related Compounds

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(1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one
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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one?
The IUPAC name of 5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one (CID 23262749) is 5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one.
What is the SMILES notation for 5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one?
The canonical SMILES for 5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one is COc1ccc2c(c1)CCN1C2CC(=O)C2CCCC21.
What is the InChIKey of 5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one?
The InChIKey is SJFKYMOILUYMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-20-12-5-6-13-11(9-12)7-8-18-15-4-2-3-14(15)17(19)10-16(13)18/h5-6,9,14-16H,2-4,7-8,10H2,1H3.
What are the key properties of 5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one?
5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one has a molecular weight of 271.36 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one is sourced from PubChem (CID 23262749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).