(9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one

C17H21NO3 — CID 163661563

About (9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one

(9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one (PubChem CID 163661563) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one.

Molecular Properties

• Compound Name: (9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
• PubChem CID: 163661563
• Molecular Formula: C17H21NO3
• Molecular Weight: 287.36 g/mol
• Exact Mass: 287.15
• IUPAC Name: (9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
• SMILES: COc1ccc2c(c1)C13CCN(C)[C@H](C2)[C@@H]1COC(=O)C3
• InChI: InChI=1S/C17H21NO3/c1-18-6-5-17-9-16(19)21-10-14(17)15(18)7-11-3-4-12(20-2)8-13(11)17/h3-4,8,14-15H,5-7,9-10H2,1-2H3/t14-,15+,17?/m0/s1
• InChIKey: IUVRYZTWJDKRHW-BTPDTDQASA-N
• XLogP: 1.76
• TPSA: 38.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.36
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one?

The IUPAC name of (9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one (CID 163661563) is (9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one.

What is the SMILES notation for (9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one?

The canonical SMILES for (9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one is COc1ccc2c(c1)C13CCN(C)[C@H](C2)[C@@H]1COC(=O)C3.

What is the InChIKey of (9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one?

The InChIKey is IUVRYZTWJDKRHW-BTPDTDQASA-N. The full InChI is InChI=1S/C17H21NO3/c1-18-6-5-17-9-16(19)21-10-14(17)15(18)7-11-3-4-12(20-2)8-13(11)17/h3-4,8,14-15H,5-7,9-10H2,1-2H3/t14-,15+,17?/m0/s1.

What are the key properties of (9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one?

(9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one has a molecular weight of 287.36 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (9R,10R)-4-methoxy-17-methyl-12-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one is sourced from PubChem (CID 163661563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).