17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol

C17H17NO — CID 12533747

IUPAC17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol
SMILESCN1C2CCc3ccccc3C1(O)c1ccccc12
InChIInChI=1S/C17H17NO/c1-18-16-11-10-12-6-2-4-8-14(12)17(18,19)15-9-5-3-7-13(15)16/h2-9,16,19H,10-11H2,1H3
InChIKeySTUAGFZGFQVIOY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.81
Rot. Bonds

About 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol

17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol (PubChem CID 12533747) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol.

Molecular Properties

Compound Name17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol
PubChem CID12533747
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol
SMILESCN1C2CCc3ccccc3C1(O)c1ccccc12
InChIInChI=1S/C17H17NO/c1-18-16-11-10-12-6-2-4-8-14(12)17(18,19)15-9-5-3-7-13(15)16/h2-9,16,19H,10-11H2,1H3
InChIKeySTUAGFZGFQVIOY-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol?
The IUPAC name of 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol (CID 12533747) is 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol.
What is the SMILES notation for 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol?
The canonical SMILES for 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol is CN1C2CCc3ccccc3C1(O)c1ccccc12.
What is the InChIKey of 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol?
The InChIKey is STUAGFZGFQVIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-18-16-11-10-12-6-2-4-8-14(12)17(18,19)15-9-5-3-7-13(15)16/h2-9,16,19H,10-11H2,1H3.
What are the key properties of 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol?
17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol has a molecular weight of 251.33 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-17-azatetracyclo[8.6.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-1-ol is sourced from PubChem (CID 12533747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).