2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid

C14H13NO2 — CID 82081108

IUPAC2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)[nH]c1C1CC1
InChIInChI=1S/C14H13NO2/c16-14(17)11-8-12(9-4-2-1-3-5-9)15-13(11)10-6-7-10/h1-5,8,10,15H,6-7H2,(H,16,17)
InChIKeyGXVKKHGDUHUROX-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.26
Rot. Bonds3

About 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid

2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82081108) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid
PubChem CID82081108
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)[nH]c1C1CC1
InChIInChI=1S/C14H13NO2/c16-14(17)11-8-12(9-4-2-1-3-5-9)15-13(11)10-6-7-10/h1-5,8,10,15H,6-7H2,(H,16,17)
InChIKeyGXVKKHGDUHUROX-UHFFFAOYSA-N
XLogP3.26
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid (CID 82081108) is 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid is O=C(O)c1cc(-c2ccccc2)[nH]c1C1CC1.
What is the InChIKey of 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is GXVKKHGDUHUROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(17)11-8-12(9-4-2-1-3-5-9)15-13(11)10-6-7-10/h1-5,8,10,15H,6-7H2,(H,16,17).
What are the key properties of 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82081108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).