(9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

C14H19NO — CID 166025257

IUPAC(9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILESCN1CCC2(C)C[C@@H]1Cc1ccc(O)cc12
InChIInChI=1S/C14H19NO/c1-14-5-6-15(2)11(9-14)7-10-3-4-12(16)8-13(10)14/h3-4,8,11,16H,5-7,9H2,1-2H3/t11-,14?/m0/s1
InChIKeySGPDQCOZBVOUMT-ZSOXZCCMSA-N
MW217.31 g/mol
LogP2.30
Rot. Bonds

About (9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

(9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol (PubChem CID 166025257) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name(9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
PubChem CID166025257
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILESCN1CCC2(C)C[C@@H]1Cc1ccc(O)cc12
InChIInChI=1S/C14H19NO/c1-14-5-6-15(2)11(9-14)7-10-3-4-12(16)8-13(10)14/h3-4,8,11,16H,5-7,9H2,1-2H3/t11-,14?/m0/s1
InChIKeySGPDQCOZBVOUMT-ZSOXZCCMSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol with MolForge

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Related Compounds

(1S,9S)-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol
CID 11183301
1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide
CID 90673746
(1R,13R)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol
CID 90679099
(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
CID 76961759
(1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 3058308
(1S,13S)-13-ethyl-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 90679076
1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide
CID 20834073
1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 70636548
(1S,9R,12R)-4-hydroxy-13-methyl-8-oxa-13-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2(7),3,5-trien-10-one
CID 13005865
(9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 138510255
1-methyl-11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 70636550
(1R,9S,10S,13S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol
CID 162462697

Frequently Asked Questions

What is the IUPAC name of (9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The IUPAC name of (9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol (CID 166025257) is (9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
What is the SMILES notation for (9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The canonical SMILES for (9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol is CN1CCC2(C)C[C@@H]1Cc1ccc(O)cc12.
What is the InChIKey of (9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The InChIKey is SGPDQCOZBVOUMT-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H19NO/c1-14-5-6-15(2)11(9-14)7-10-3-4-12(16)8-13(10)14/h3-4,8,11,16H,5-7,9H2,1-2H3/t11-,14?/m0/s1.
What are the key properties of (9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
(9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol has a molecular weight of 217.31 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 166025257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).