4-cyclopropyl-1-methylpyrrole-3-carboxylic acid

C9H11NO2 — CID 68885389

IUPAC4-cyclopropyl-1-methylpyrrole-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(C2CC2)c1
InChIInChI=1S/C9H11NO2/c1-10-4-7(6-2-3-6)8(5-10)9(11)12/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyFPXGIOOXDRZSPF-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.60
Rot. Bonds2

About 4-cyclopropyl-1-methylpyrrole-3-carboxylic acid

4-cyclopropyl-1-methylpyrrole-3-carboxylic acid (PubChem CID 68885389) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-cyclopropyl-1-methylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-1-methylpyrrole-3-carboxylic acid
PubChem CID68885389
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-cyclopropyl-1-methylpyrrole-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(C2CC2)c1
InChIInChI=1S/C9H11NO2/c1-10-4-7(6-2-3-6)8(5-10)9(11)12/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyFPXGIOOXDRZSPF-UHFFFAOYSA-N
XLogP1.60
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclopropyl-1-methylpyrrole-3-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 4-cyclopropyl-1-methylpyrrole-3-carboxylic acid?
The IUPAC name of 4-cyclopropyl-1-methylpyrrole-3-carboxylic acid (CID 68885389) is 4-cyclopropyl-1-methylpyrrole-3-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-1-methylpyrrole-3-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-1-methylpyrrole-3-carboxylic acid is Cn1cc(C(=O)O)c(C2CC2)c1.
What is the InChIKey of 4-cyclopropyl-1-methylpyrrole-3-carboxylic acid?
The InChIKey is FPXGIOOXDRZSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10-4-7(6-2-3-6)8(5-10)9(11)12/h4-6H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-cyclopropyl-1-methylpyrrole-3-carboxylic acid?
4-cyclopropyl-1-methylpyrrole-3-carboxylic acid has a molecular weight of 165.19 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-methylpyrrole-3-carboxylic acid is sourced from PubChem (CID 68885389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).