1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid

C10H13NO2 — CID 2776579

IUPAC1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1C1CC1
InChIInChI=1S/C10H13NO2/c1-6-5-9(10(12)13)7(2)11(6)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,12,13)
InChIKeyVOOZJPFNBFNPEK-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.14
Rot. Bonds2

About 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid

1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid (PubChem CID 2776579) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid
PubChem CID2776579
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1C1CC1
InChIInChI=1S/C10H13NO2/c1-6-5-9(10(12)13)7(2)11(6)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,12,13)
InChIKeyVOOZJPFNBFNPEK-UHFFFAOYSA-N
XLogP2.14
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid (CID 2776579) is 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid is Cc1cc(C(=O)O)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid?
The InChIKey is VOOZJPFNBFNPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-5-9(10(12)13)7(2)11(6)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid?
1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid has a molecular weight of 179.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid is sourced from PubChem (CID 2776579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).