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

C9H13NO2 — CID 121283248

IUPAC6-(dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid
SMILESCN(C)C1C=CC=CC1C(=O)O
InChIInChI=1S/C9H13NO2/c1-10(2)8-6-4-3-5-7(8)9(11)12/h3-8H,1-2H3,(H,11,12)
InChIKeyUKKSTNTYEJJDMD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.74
Rot. Bonds2

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

6-(dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 121283248) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-(dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid
PubChem CID121283248
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name6-(dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid
SMILESCN(C)C1C=CC=CC1C(=O)O
InChIInChI=1S/C9H13NO2/c1-10(2)8-6-4-3-5-7(8)9(11)12/h3-8H,1-2H3,(H,11,12)
InChIKeyUKKSTNTYEJJDMD-UHFFFAOYSA-N
XLogP0.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Fluoro-6-(2-methylpropylamino)cyclohexa-2,4-diene-1-carboxylic acid
CID 174842019
1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid
CID 56619811
1,8a-Dihydroindolizine-1-carboxylic acid
CID 67554095
6-(Dimethylamino)-3,5,6-triiodocyclohexa-2,4-diene-1-carboxylic acid
CID 69630725
2-Cyclohexa-1,5-dien-1-yl-2-(dimethylamino)acetic acid
CID 90829822
6-(Ethylamino)cyclohexa-2,4-diene-1-carboxylic acid
CID 121283244
2-[4-(Dimethylamino)-3-methylcyclohexa-1,5-dien-1-yl]acetic acid
CID 130242596
6-Amino-4-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 135293112
(4E,6Z)-3-[tert-butyl(hydroxy)amino]-2-methylnona-4,6,8-trienoic acid
CID 144679503
6-(Dimethylaminomethylidene)cyclohexa-2,4-diene-1-carboxylic acid
CID 153893987
4-(Dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid
CID 155067240
6-(Methylideneamino)cyclohexa-2,4-diene-1-carboxylic acid
CID 156352563

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 6-(dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid (CID 121283248) is 6-(dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 6-(dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 6-(dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid is CN(C)C1C=CC=CC1C(=O)O.
What is the InChIKey of 6-(dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is UKKSTNTYEJJDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10(2)8-6-4-3-5-7(8)9(11)12/h3-8H,1-2H3,(H,11,12).
What are the key properties of 6-(dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid?
6-(dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 167.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 121283248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).