11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol

C18H21NO2 — CID 11623343

IUPAC11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol
SMILESCN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1
InChIInChI=1S/C18H21NO2/c1-19-8-6-15-11-17(20)4-2-13(15)10-14-3-5-18(21)12-16(14)7-9-19/h2-5,11-12,20-21H,6-10H2,1H3
InChIKeySBKJMNCSBLEGCS-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.72
Rot. Bonds

About 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol

11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol (PubChem CID 11623343) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol.

Molecular Properties

Compound Name11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol
PubChem CID11623343
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol
SMILESCN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1
InChIInChI=1S/C18H21NO2/c1-19-8-6-15-11-17(20)4-2-13(15)10-14-3-5-18(21)12-16(14)7-9-19/h2-5,11-12,20-21H,6-10H2,1H3
InChIKeySBKJMNCSBLEGCS-UHFFFAOYSA-N
XLogP2.72
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol?
The IUPAC name of 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol (CID 11623343) is 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol.
What is the SMILES notation for 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol?
The canonical SMILES for 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol is CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1.
What is the InChIKey of 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol?
The InChIKey is SBKJMNCSBLEGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19-8-6-15-11-17(20)4-2-13(15)10-14-3-5-18(21)12-16(14)7-9-19/h2-5,11-12,20-21H,6-10H2,1H3.
What are the key properties of 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol?
11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol has a molecular weight of 283.37 g/mol, XLogP of 2.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene-6,16-diol is sourced from PubChem (CID 11623343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).