(3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone

C24H34N2O3 — CID 58123500

IUPAC(3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
SMILESCC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)N1C2CCCC1CC(O)C2
InChIInChI=1S/C24H34N2O3/c1-23(2)21-14-18-19(8-5-9-20(18)28)24(23,3)10-11-25(21)22(29)26-15-6-4-7-16(26)13-17(27)12-15/h5,8-9,15-17,21,27-28H,4,6-7,10-14H2,1-3H3/t15?,16?,17?,21-,24+/m1/s1
InChIKeyUUWMSBMCBOFNLA-JAIUQYDJSA-N
MW398.55 g/mol
LogP3.80
Rot. Bonds

About (3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone

(3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone (PubChem CID 58123500) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is (3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
PubChem CID58123500
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name(3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
SMILESCC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)N1C2CCCC1CC(O)C2
InChIInChI=1S/C24H34N2O3/c1-23(2)21-14-18-19(8-5-9-20(18)28)24(23,3)10-11-25(21)22(29)26-15-6-4-7-16(26)13-17(27)12-15/h5,8-9,15-17,21,27-28H,4,6-7,10-14H2,1-3H3/t15?,16?,17?,21-,24+/m1/s1
InChIKeyUUWMSBMCBOFNLA-JAIUQYDJSA-N
XLogP3.80
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone?
The IUPAC name of (3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone (CID 58123500) is (3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone.
What is the SMILES notation for (3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone?
The canonical SMILES for (3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone is CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)N1C2CCCC1CC(O)C2.
What is the InChIKey of (3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone?
The InChIKey is UUWMSBMCBOFNLA-JAIUQYDJSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-23(2)21-14-18-19(8-5-9-20(18)28)24(23,3)10-11-25(21)22(29)26-15-6-4-7-16(26)13-17(27)12-15/h5,8-9,15-17,21,27-28H,4,6-7,10-14H2,1-3H3/t15?,16?,17?,21-,24+/m1/s1.
What are the key properties of (3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone?
(3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone has a molecular weight of 398.55 g/mol, XLogP of 3.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl)-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone is sourced from PubChem (CID 58123500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).