1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid

C11H15NO2 — CID 16788534

IUPAC1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1CC1CC1
InChIInChI=1S/C11H15NO2/c1-7-5-10(11(13)14)8(2)12(7)6-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyIRPSDSAYDMWHCN-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.21
Rot. Bonds3

About 1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid

1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid (PubChem CID 16788534) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid
PubChem CID16788534
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1CC1CC1
InChIInChI=1S/C11H15NO2/c1-7-5-10(11(13)14)8(2)12(7)6-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyIRPSDSAYDMWHCN-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopropylmethyl)-2,5-dimethylpyrrole-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 1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid (CID 16788534) is 1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid is Cc1cc(C(=O)O)c(C)n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid?
The InChIKey is IRPSDSAYDMWHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-10(11(13)14)8(2)12(7)6-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid?
1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid has a molecular weight of 193.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid is sourced from PubChem (CID 16788534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).