(1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol

C10H15NO2 — CID 98107308

IUPAC(1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol
SMILESCC1=NO[C@]2(O)C[C@@H]3[C@@H]([C@@H]12)C3(C)C
InChIInChI=1S/C10H15NO2/c1-5-7-8-6(9(8,2)3)4-10(7,12)13-11-5/h6-8,12H,4H2,1-3H3/t6-,7-,8+,10-/m1/s1
InChIKeyGZCUMBXVOIWKDO-BDNRQGISSA-N
MW181.23 g/mol
LogP1.37
Rot. Bonds

About (1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol

(1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol (PubChem CID 98107308) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol.

Molecular Properties

Compound Name(1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol
PubChem CID98107308
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol
SMILESCC1=NO[C@]2(O)C[C@@H]3[C@@H]([C@@H]12)C3(C)C
InChIInChI=1S/C10H15NO2/c1-5-7-8-6(9(8,2)3)4-10(7,12)13-11-5/h6-8,12H,4H2,1-3H3/t6-,7-,8+,10-/m1/s1
InChIKeyGZCUMBXVOIWKDO-BDNRQGISSA-N
XLogP1.37
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol?
The IUPAC name of (1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol (CID 98107308) is (1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol.
What is the SMILES notation for (1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol?
The canonical SMILES for (1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol is CC1=NO[C@]2(O)C[C@@H]3[C@@H]([C@@H]12)C3(C)C.
What is the InChIKey of (1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol?
The InChIKey is GZCUMBXVOIWKDO-BDNRQGISSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-7-8-6(9(8,2)3)4-10(7,12)13-11-5/h6-8,12H,4H2,1-3H3/t6-,7-,8+,10-/m1/s1.
What are the key properties of (1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol?
(1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol has a molecular weight of 181.23 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,6R)-3,3,9-trimethyl-7-oxa-8-azatricyclo[4.3.0.02,4]non-8-en-6-ol is sourced from PubChem (CID 98107308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).