(2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid

C11H11NO2 — CID 67873419

IUPAC(2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid
SMILESO=C(O)[C@H]1C=CC(C2=CCCC=C2)=N1
InChIInChI=1S/C11H11NO2/c13-11(14)10-7-6-9(12-10)8-4-2-1-3-5-8/h2,4-7,10H,1,3H2,(H,13,14)/t10-/m1/s1
InChIKeyHVNIMADJQGCJPT-SNVBAGLBSA-N
MW189.21 g/mol
LogP1.73
Rot. Bonds2

About (2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid

(2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid (PubChem CID 67873419) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid
PubChem CID67873419
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid
SMILESO=C(O)[C@H]1C=CC(C2=CCCC=C2)=N1
InChIInChI=1S/C11H11NO2/c13-11(14)10-7-6-9(12-10)8-4-2-1-3-5-8/h2,4-7,10H,1,3H2,(H,13,14)/t10-/m1/s1
InChIKeyHVNIMADJQGCJPT-SNVBAGLBSA-N
XLogP1.73
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-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 (2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid?
The IUPAC name of (2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid (CID 67873419) is (2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid.
What is the SMILES notation for (2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid?
The canonical SMILES for (2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid is O=C(O)[C@H]1C=CC(C2=CCCC=C2)=N1.
What is the InChIKey of (2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid?
The InChIKey is HVNIMADJQGCJPT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11(14)10-7-6-9(12-10)8-4-2-1-3-5-8/h2,4-7,10H,1,3H2,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid?
(2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid has a molecular weight of 189.21 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 (2R)-5-cyclohexa-1,5-dien-1-yl-2H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 67873419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).