6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid

C9H11NO2 — CID 141473325

IUPAC6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid
SMILESC=C1C=CC=C(C(=O)O)C1NC
InChIInChI=1S/C9H11NO2/c1-6-4-3-5-7(9(11)12)8(6)10-2/h3-5,8,10H,1H2,2H3,(H,11,12)
InChIKeyOJBIEQSPZIRCGT-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.71
Rot. Bonds2

About 6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid

6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid (PubChem CID 141473325) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid
PubChem CID141473325
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid
SMILESC=C1C=CC=C(C(=O)O)C1NC
InChIInChI=1S/C9H11NO2/c1-6-4-3-5-7(9(11)12)8(6)10-2/h3-5,8,10H,1H2,2H3,(H,11,12)
InChIKeyOJBIEQSPZIRCGT-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid?
The IUPAC name of 6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid (CID 141473325) is 6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid?
The canonical SMILES for 6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid is C=C1C=CC=C(C(=O)O)C1NC.
What is the InChIKey of 6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid?
The InChIKey is OJBIEQSPZIRCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-4-3-5-7(9(11)12)8(6)10-2/h3-5,8,10H,1H2,2H3,(H,11,12).
What are the key properties of 6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid?
6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid has a molecular weight of 165.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-5-methylidenecyclohexa-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 141473325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).