5-cyclopropyl-2H-pyrrole-3-carboxylic acid

C8H9NO2 — CID 157137508

IUPAC5-cyclopropyl-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=CC(C2CC2)=NC1
InChIInChI=1S/C8H9NO2/c10-8(11)6-3-7(9-4-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11)
InChIKeyKQAUIYANEFVLTN-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.86
Rot. Bonds2

About 5-cyclopropyl-2H-pyrrole-3-carboxylic acid

5-cyclopropyl-2H-pyrrole-3-carboxylic acid (PubChem CID 157137508) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 5-cyclopropyl-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2H-pyrrole-3-carboxylic acid
PubChem CID157137508
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name5-cyclopropyl-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=CC(C2CC2)=NC1
InChIInChI=1S/C8H9NO2/c10-8(11)6-3-7(9-4-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11)
InChIKeyKQAUIYANEFVLTN-UHFFFAOYSA-N
XLogP0.86
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2H-pyrrole-3-carboxylic acid (CID 157137508) is 5-cyclopropyl-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2H-pyrrole-3-carboxylic acid is O=C(O)C1=CC(C2CC2)=NC1.
What is the InChIKey of 5-cyclopropyl-2H-pyrrole-3-carboxylic acid?
The InChIKey is KQAUIYANEFVLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-8(11)6-3-7(9-4-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11).
What are the key properties of 5-cyclopropyl-2H-pyrrole-3-carboxylic acid?
5-cyclopropyl-2H-pyrrole-3-carboxylic acid has a molecular weight of 151.16 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 157137508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).