6,6-dimethylazepine-2,3-diol

C8H11NO2 — CID 143787306

IUPAC6,6-dimethylazepine-2,3-diol
SMILESCC1(C)C=CC(O)=C(O)N=C1
InChIInChI=1S/C8H11NO2/c1-8(2)4-3-6(10)7(11)9-5-8/h3-5,10-11H,1-2H3
InChIKeyGHAJMJQJBQEVFI-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.94
Rot. Bonds

About 6,6-dimethylazepine-2,3-diol

6,6-dimethylazepine-2,3-diol (PubChem CID 143787306) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 6,6-dimethylazepine-2,3-diol.

Molecular Properties

Compound Name6,6-dimethylazepine-2,3-diol
PubChem CID143787306
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name6,6-dimethylazepine-2,3-diol
SMILESCC1(C)C=CC(O)=C(O)N=C1
InChIInChI=1S/C8H11NO2/c1-8(2)4-3-6(10)7(11)9-5-8/h3-5,10-11H,1-2H3
InChIKeyGHAJMJQJBQEVFI-UHFFFAOYSA-N
XLogP1.94
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6,6-dimethylazepine-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylazepine-2,3-diol?
The IUPAC name of 6,6-dimethylazepine-2,3-diol (CID 143787306) is 6,6-dimethylazepine-2,3-diol.
What is the SMILES notation for 6,6-dimethylazepine-2,3-diol?
The canonical SMILES for 6,6-dimethylazepine-2,3-diol is CC1(C)C=CC(O)=C(O)N=C1.
What is the InChIKey of 6,6-dimethylazepine-2,3-diol?
The InChIKey is GHAJMJQJBQEVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-8(2)4-3-6(10)7(11)9-5-8/h3-5,10-11H,1-2H3.
What are the key properties of 6,6-dimethylazepine-2,3-diol?
6,6-dimethylazepine-2,3-diol has a molecular weight of 153.18 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylazepine-2,3-diol is sourced from PubChem (CID 143787306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).