(1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol

C15H19NO2 — CID 177479111

IUPAC(1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol
SMILESCN1CC[C@]23CCCC1[C@@H]2Oc1c(O)cccc13
InChIInChI=1S/C15H19NO2/c1-16-9-8-15-7-3-5-11(16)14(15)18-13-10(15)4-2-6-12(13)17/h2,4,6,11,14,17H,3,5,7-9H2,1H3/t11?,14-,15-/m0/s1
InChIKeyNEEUHMCLVMVASY-CNSWMUILSA-N
MW245.32 g/mol
LogP2.28
Rot. Bonds

About (1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol

(1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol (PubChem CID 177479111) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol.

Molecular Properties

Compound Name(1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol
PubChem CID177479111
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol
SMILESCN1CC[C@]23CCCC1[C@@H]2Oc1c(O)cccc13
InChIInChI=1S/C15H19NO2/c1-16-9-8-15-7-3-5-11(16)14(15)18-13-10(15)4-2-6-12(13)17/h2,4,6,11,14,17H,3,5,7-9H2,1H3/t11?,14-,15-/m0/s1
InChIKeyNEEUHMCLVMVASY-CNSWMUILSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol with MolForge

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Related Compounds

(1S,9R,10S)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-amine
CID 11288027
(1R,10S,11S)-6-hydroxy-12-methyl-12-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-8-one
CID 71541559
(4aR,7R,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
CID 143567873
(1R,5R,9R)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol
CID 11448058
(1R,9S,10R,11R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-3,4,11-triol
CID 3047871
(4R,7R,7aR,12bS)-7-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol
CID 169442799
(4R,4aR,7aS,12bS)-9-hydroxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-carbaldehyde
CID 174493178
3-[(1R,5R,9S)-2,9-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol;hydrochloride
CID 45262435
(1S,9S,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-3,4-diol;hydrochloride
CID 6916339
(7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
CID 11161935
(7S)-3,7-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol
CID 147981626
(4R,4aR,7R,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
CID 5324287

Frequently Asked Questions

What is the IUPAC name of (1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol?
The IUPAC name of (1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol (CID 177479111) is (1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol.
What is the SMILES notation for (1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol?
The canonical SMILES for (1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol is CN1CC[C@]23CCCC1[C@@H]2Oc1c(O)cccc13.
What is the InChIKey of (1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol?
The InChIKey is NEEUHMCLVMVASY-CNSWMUILSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16-9-8-15-7-3-5-11(16)14(15)18-13-10(15)4-2-6-12(13)17/h2,4,6,11,14,17H,3,5,7-9H2,1H3/t11?,14-,15-/m0/s1.
What are the key properties of (1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol?
(1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol has a molecular weight of 245.32 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R)-11-methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol is sourced from PubChem (CID 177479111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).