1-ethenylpyrrole-2-carboxylic acid

C7H7NO2 — CID 586189

IUPAC1-ethenylpyrrole-2-carboxylic acid
SMILESC=Cn1cccc1C(=O)O
InChIInChI=1S/C7H7NO2/c1-2-8-5-3-4-6(8)7(9)10/h2-5H,1H2,(H,9,10)
InChIKeyQKMWGJRTHOVYTE-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.29
Rot. Bonds2

About 1-ethenylpyrrole-2-carboxylic acid

1-ethenylpyrrole-2-carboxylic acid (PubChem CID 586189) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 1-ethenylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethenylpyrrole-2-carboxylic acid
PubChem CID586189
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name1-ethenylpyrrole-2-carboxylic acid
SMILESC=Cn1cccc1C(=O)O
InChIInChI=1S/C7H7NO2/c1-2-8-5-3-4-6(8)7(9)10/h2-5H,1H2,(H,9,10)
InChIKeyQKMWGJRTHOVYTE-UHFFFAOYSA-N
XLogP1.29
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrole-2-carboxylic acid?
The IUPAC name of 1-ethenylpyrrole-2-carboxylic acid (CID 586189) is 1-ethenylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethenylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethenylpyrrole-2-carboxylic acid is C=Cn1cccc1C(=O)O.
What is the InChIKey of 1-ethenylpyrrole-2-carboxylic acid?
The InChIKey is QKMWGJRTHOVYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-2-8-5-3-4-6(8)7(9)10/h2-5H,1H2,(H,9,10).
What are the key properties of 1-ethenylpyrrole-2-carboxylic acid?
1-ethenylpyrrole-2-carboxylic acid has a molecular weight of 137.14 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrole-2-carboxylic acid is sourced from PubChem (CID 586189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).