2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid

C11H15NO2 — CID 84755948

IUPAC2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid
SMILESCC(C)n1ccc(C(=O)O)c1C1CC1
InChIInChI=1S/C11H15NO2/c1-7(2)12-6-5-9(11(13)14)10(12)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyKBIZKMTZOIHRHN-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.64
Rot. Bonds3

About 2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid

2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid (PubChem CID 84755948) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid
PubChem CID84755948
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid
SMILESCC(C)n1ccc(C(=O)O)c1C1CC1
InChIInChI=1S/C11H15NO2/c1-7(2)12-6-5-9(11(13)14)10(12)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyKBIZKMTZOIHRHN-UHFFFAOYSA-N
XLogP2.64
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid (CID 84755948) is 2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid is CC(C)n1ccc(C(=O)O)c1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid?
The InChIKey is KBIZKMTZOIHRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)12-6-5-9(11(13)14)10(12)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid?
2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid has a molecular weight of 193.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-propan-2-ylpyrrole-3-carboxylic acid is sourced from PubChem (CID 84755948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).