6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol

C11H17NO2 — CID 87695525

IUPAC6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol
SMILESCCN(C=C1CC=CC(O)=C1O)CC
InChIInChI=1S/C11H17NO2/c1-3-12(4-2)8-9-6-5-7-10(13)11(9)14/h5,7-8,13-14H,3-4,6H2,1-2H3
InChIKeyPTXOMKBJIQXREX-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.50
Rot. Bonds3

About 6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol

6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol (PubChem CID 87695525) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol.

Molecular Properties

Compound Name6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol
PubChem CID87695525
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol
SMILESCCN(C=C1CC=CC(O)=C1O)CC
InChIInChI=1S/C11H17NO2/c1-3-12(4-2)8-9-6-5-7-10(13)11(9)14/h5,7-8,13-14H,3-4,6H2,1-2H3
InChIKeyPTXOMKBJIQXREX-UHFFFAOYSA-N
XLogP2.50
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-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-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol?
The IUPAC name of 6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol (CID 87695525) is 6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol.
What is the SMILES notation for 6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol?
The canonical SMILES for 6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol is CCN(C=C1CC=CC(O)=C1O)CC.
What is the InChIKey of 6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol?
The InChIKey is PTXOMKBJIQXREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-12(4-2)8-9-6-5-7-10(13)11(9)14/h5,7-8,13-14H,3-4,6H2,1-2H3.
What are the key properties of 6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol?
6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol has a molecular weight of 195.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol is sourced from PubChem (CID 87695525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).