2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid

C11H11NO3 — CID 171488791

IUPAC2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid
SMILESCNC(=O)C1=C(C(=O)O)C=CC=CC=C1
InChIInChI=1S/C11H11NO3/c1-12-10(13)8-6-4-2-3-5-7-9(8)11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKeySNOMYLGISVJJNT-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.80
Rot. Bonds2

About 2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid

2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid (PubChem CID 171488791) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid.

Molecular Properties

Compound Name2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid
PubChem CID171488791
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid
SMILESCNC(=O)C1=C(C(=O)O)C=CC=CC=C1
InChIInChI=1S/C11H11NO3/c1-12-10(13)8-6-4-2-3-5-7-9(8)11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKeySNOMYLGISVJJNT-UHFFFAOYSA-N
XLogP0.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid?
The IUPAC name of 2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid (CID 171488791) is 2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid.
What is the SMILES notation for 2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid?
The canonical SMILES for 2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid is CNC(=O)C1=C(C(=O)O)C=CC=CC=C1.
What is the InChIKey of 2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid?
The InChIKey is SNOMYLGISVJJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-12-10(13)8-6-4-2-3-5-7-9(8)11(14)15/h2-7H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid?
2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid is sourced from PubChem (CID 171488791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).