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

C9H13NO2 — CID 87695610

IUPAC6-(dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol
SMILESCN(C)C=C1CC=CC(O)=C1O
InChIInChI=1S/C9H13NO2/c1-10(2)6-7-4-3-5-8(11)9(7)12/h3,5-6,11-12H,4H2,1-2H3
InChIKeyXQDYVLHEALEAJU-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.72
Rot. Bonds1

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

6-(dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol (PubChem CID 87695610) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-(dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol.

Molecular Properties

Compound Name6-(dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol
PubChem CID87695610
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name6-(dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol
SMILESCN(C)C=C1CC=CC(O)=C1O
InChIInChI=1S/C9H13NO2/c1-10(2)6-7-4-3-5-8(11)9(7)12/h3,5-6,11-12H,4H2,1-2H3
InChIKeyXQDYVLHEALEAJU-UHFFFAOYSA-N
XLogP1.72
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol?
The IUPAC name of 6-(dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol (CID 87695610) is 6-(dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol.
What is the SMILES notation for 6-(dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol?
The canonical SMILES for 6-(dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol is CN(C)C=C1CC=CC(O)=C1O.
What is the InChIKey of 6-(dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol?
The InChIKey is XQDYVLHEALEAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10(2)6-7-4-3-5-8(11)9(7)12/h3,5-6,11-12H,4H2,1-2H3.
What are the key properties of 6-(dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol?
6-(dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol has a molecular weight of 167.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol is sourced from PubChem (CID 87695610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).