(1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol

C14H19NO — CID 3058308

IUPAC(1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
SMILESC[C@@]12CCNCC(Cc3ccc(O)cc31)C2
InChIInChI=1S/C14H19NO/c1-14-4-5-15-9-10(8-14)6-11-2-3-12(16)7-13(11)14/h2-3,7,10,15-16H,4-6,8-9H2,1H3/t10?,14-/m0/s1
InChIKeyXMWIRHHXZICAHD-SBNLOKMTSA-N
MW217.31 g/mol
LogP2.21
Rot. Bonds

About (1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol

(1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol (PubChem CID 3058308) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name(1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
PubChem CID3058308
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
SMILESC[C@@]12CCNCC(Cc3ccc(O)cc31)C2
InChIInChI=1S/C14H19NO/c1-14-4-5-15-9-10(8-14)6-11-2-3-12(16)7-13(11)14/h2-3,7,10,15-16H,4-6,8-9H2,1H3/t10?,14-/m0/s1
InChIKeyXMWIRHHXZICAHD-SBNLOKMTSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol with MolForge

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Related Compounds

1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide
CID 20834073
(9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 166025257
1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 70636548
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
(1S,9S)-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol
CID 11183301
(1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol
CID 90679265
(1S,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 124562991
1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol
CID 12880322
(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 89082538
11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 10219748
1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 126635647
1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol
CID 146840967

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol?
The IUPAC name of (1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol (CID 3058308) is (1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol.
What is the SMILES notation for (1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol?
The canonical SMILES for (1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol is C[C@@]12CCNCC(Cc3ccc(O)cc31)C2.
What is the InChIKey of (1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol?
The InChIKey is XMWIRHHXZICAHD-SBNLOKMTSA-N. The full InChI is InChI=1S/C14H19NO/c1-14-4-5-15-9-10(8-14)6-11-2-3-12(16)7-13(11)14/h2-3,7,10,15-16H,4-6,8-9H2,1H3/t10?,14-/m0/s1.
What are the key properties of (1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol?
(1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol has a molecular weight of 217.31 g/mol, XLogP of 2.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 3058308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).