10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol

C12H21NO3 — CID 146675348

IUPAC10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol
SMILESCN1CC2C3CC(CO)C(C(O)C3O)C2C1
InChIInChI=1S/C12H21NO3/c1-13-3-8-7-2-6(5-14)10(9(8)4-13)12(16)11(7)15/h6-12,14-16H,2-5H2,1H3
InChIKeyJJUMEFUAQUJLHA-UHFFFAOYSA-N
MW227.30 g/mol
LogP-0.86
Rot. Bonds1

About 10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol

10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol (PubChem CID 146675348) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol.

Molecular Properties

Compound Name10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol
PubChem CID146675348
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol
SMILESCN1CC2C3CC(CO)C(C(O)C3O)C2C1
InChIInChI=1S/C12H21NO3/c1-13-3-8-7-2-6(5-14)10(9(8)4-13)12(16)11(7)15/h6-12,14-16H,2-5H2,1H3
InChIKeyJJUMEFUAQUJLHA-UHFFFAOYSA-N
XLogP-0.86
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol?
The IUPAC name of 10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol (CID 146675348) is 10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol.
What is the SMILES notation for 10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol?
The canonical SMILES for 10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol is CN1CC2C3CC(CO)C(C(O)C3O)C2C1.
What is the InChIKey of 10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol?
The InChIKey is JJUMEFUAQUJLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-13-3-8-7-2-6(5-14)10(9(8)4-13)12(16)11(7)15/h6-12,14-16H,2-5H2,1H3.
What are the key properties of 10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol?
10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol has a molecular weight of 227.30 g/mol, XLogP of -0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol is sourced from PubChem (CID 146675348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).