7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol

C9H15NO3 — CID 14430944

IUPAC7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol
SMILESCOC1C(O)C2C=CC(O)C1N2C
InChIInChI=1S/C9H15NO3/c1-10-5-3-4-6(11)7(10)9(13-2)8(5)12/h3-9,11-12H,1-2H3
InChIKeyZEEICHNLNDBBCQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP-1.02
Rot. Bonds1

About 7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol

7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol (PubChem CID 14430944) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol.

Molecular Properties

Compound Name7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol
PubChem CID14430944
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol
SMILESCOC1C(O)C2C=CC(O)C1N2C
InChIInChI=1S/C9H15NO3/c1-10-5-3-4-6(11)7(10)9(13-2)8(5)12/h3-9,11-12H,1-2H3
InChIKeyZEEICHNLNDBBCQ-UHFFFAOYSA-N
XLogP-1.02
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol?
The IUPAC name of 7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol (CID 14430944) is 7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol.
What is the SMILES notation for 7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol?
The canonical SMILES for 7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol is COC1C(O)C2C=CC(O)C1N2C.
What is the InChIKey of 7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol?
The InChIKey is ZEEICHNLNDBBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10-5-3-4-6(11)7(10)9(13-2)8(5)12/h3-9,11-12H,1-2H3.
What are the key properties of 7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol?
7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol has a molecular weight of 185.22 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol is sourced from PubChem (CID 14430944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).