1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one

C19H25NO2 — CID 71439144

About 1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one

1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one (PubChem CID 71439144) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one.

Molecular Properties

• Compound Name: 1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one
• PubChem CID: 71439144
• Molecular Formula: C19H25NO2
• Molecular Weight: 299.41 g/mol
• Exact Mass: 299.19
• IUPAC Name: 1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one
• SMILES: CC(=O)CN1CCC23CCCCC2C1Cc1ccc(O)cc13
• InChI: InChI=1S/C19H25NO2/c1-13(21)12-20-9-8-19-7-3-2-4-16(19)18(20)10-14-5-6-15(22)11-17(14)19/h5-6,11,16,18,22H,2-4,7-10,12H2,1H3
• InChIKey: JXCWCFNXJLYNDP-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.41
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one?

The IUPAC name of 1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one (CID 71439144) is 1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one.

What is the SMILES notation for 1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one?

The canonical SMILES for 1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one is CC(=O)CN1CCC23CCCCC2C1Cc1ccc(O)cc13.

What is the InChIKey of 1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one?

The InChIKey is JXCWCFNXJLYNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13(21)12-20-9-8-19-7-3-2-4-16(19)18(20)10-14-5-6-15(22)11-17(14)19/h5-6,11,16,18,22H,2-4,7-10,12H2,1H3.

What are the key properties of 1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one?

1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one has a molecular weight of 299.41 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one is sourced from PubChem (CID 71439144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).