1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol

C8H13NO2 — CID 22357098

IUPAC1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol
SMILESCN(C)C1(O)C=CC=C(O)C1
InChIInChI=1S/C8H13NO2/c1-9(2)8(11)5-3-4-7(10)6-8/h3-5,10-11H,6H2,1-2H3
InChIKeyXUEWYLBRADJEAJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.64
Rot. Bonds1

About 1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol

1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol (PubChem CID 22357098) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol
PubChem CID22357098
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol
SMILESCN(C)C1(O)C=CC=C(O)C1
InChIInChI=1S/C8H13NO2/c1-9(2)8(11)5-3-4-7(10)6-8/h3-5,10-11H,6H2,1-2H3
InChIKeyXUEWYLBRADJEAJ-UHFFFAOYSA-N
XLogP0.64
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol (CID 22357098) is 1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol is CN(C)C1(O)C=CC=C(O)C1.
What is the InChIKey of 1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol?
The InChIKey is XUEWYLBRADJEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9(2)8(11)5-3-4-7(10)6-8/h3-5,10-11H,6H2,1-2H3.
What are the key properties of 1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol?
1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol has a molecular weight of 155.20 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)cyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 22357098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).