(1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol

C13H17NO2 — CID 90679265

IUPAC(1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol
SMILESC[C@@]12CCNC(Cc3ccc(O)cc31)[C@H]2O
InChIInChI=1S/C13H17NO2/c1-13-4-5-14-11(12(13)16)6-8-2-3-9(15)7-10(8)13/h2-3,7,11-12,14-16H,4-6H2,1H3/t11?,12-,13-/m1/s1
InChIKeyTWHGJEKDBXWYSU-VFRRUGBOSA-N
MW219.28 g/mol
LogP0.93
Rot. Bonds

About (1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol

(1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol (PubChem CID 90679265) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol.

Molecular Properties

Compound Name(1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol
PubChem CID90679265
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol
SMILESC[C@@]12CCNC(Cc3ccc(O)cc31)[C@H]2O
InChIInChI=1S/C13H17NO2/c1-13-4-5-14-11(12(13)16)6-8-2-3-9(15)7-10(8)13/h2-3,7,11-12,14-16H,4-6H2,1H3/t11?,12-,13-/m1/s1
InChIKeyTWHGJEKDBXWYSU-VFRRUGBOSA-N
XLogP0.93
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol?
The IUPAC name of (1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol (CID 90679265) is (1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol.
What is the SMILES notation for (1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol?
The canonical SMILES for (1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol is C[C@@]12CCNC(Cc3ccc(O)cc31)[C@H]2O.
What is the InChIKey of (1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol?
The InChIKey is TWHGJEKDBXWYSU-VFRRUGBOSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13-4-5-14-11(12(13)16)6-8-2-3-9(15)7-10(8)13/h2-3,7,11-12,14-16H,4-6H2,1H3/t11?,12-,13-/m1/s1.
What are the key properties of (1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol?
(1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol has a molecular weight of 219.28 g/mol, XLogP of 0.93, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol is sourced from PubChem (CID 90679265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).