1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid

C11H17NO2 — CID 84755886

IUPAC1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid
SMILESCCn1ccc(C(=O)O)c1CC(C)C
InChIInChI=1S/C11H17NO2/c1-4-12-6-5-9(11(13)14)10(12)7-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,13,14)
InChIKeyUVANTDBUBWEJCG-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.40
Rot. Bonds4

About 1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid

1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid (PubChem CID 84755886) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid
PubChem CID84755886
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid
SMILESCCn1ccc(C(=O)O)c1CC(C)C
InChIInChI=1S/C11H17NO2/c1-4-12-6-5-9(11(13)14)10(12)7-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,13,14)
InChIKeyUVANTDBUBWEJCG-UHFFFAOYSA-N
XLogP2.40
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid?
The IUPAC name of 1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid (CID 84755886) is 1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid is CCn1ccc(C(=O)O)c1CC(C)C.
What is the InChIKey of 1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid?
The InChIKey is UVANTDBUBWEJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-12-6-5-9(11(13)14)10(12)7-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,13,14).
What are the key properties of 1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid?
1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 84755886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).