2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid

C11H17NO2 — CID 150836695

IUPAC2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid
SMILESCC1C=CC=C(N(C)C)C1(C)C(=O)O
InChIInChI=1S/C11H17NO2/c1-8-6-5-7-9(12(3)4)11(8,2)10(13)14/h5-8H,1-4H3,(H,13,14)
InChIKeyKNCWZUJRKXMJQF-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.73
Rot. Bonds2

About 2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid

2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 150836695) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid
PubChem CID150836695
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid
SMILESCC1C=CC=C(N(C)C)C1(C)C(=O)O
InChIInChI=1S/C11H17NO2/c1-8-6-5-7-9(12(3)4)11(8,2)10(13)14/h5-8H,1-4H3,(H,13,14)
InChIKeyKNCWZUJRKXMJQF-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid 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 2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid (CID 150836695) is 2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid is CC1C=CC=C(N(C)C)C1(C)C(=O)O.
What is the InChIKey of 2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is KNCWZUJRKXMJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-6-5-7-9(12(3)4)11(8,2)10(13)14/h5-8H,1-4H3,(H,13,14).
What are the key properties of 2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid?
2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 150836695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).