4-cyclopropyl-1H-pyrrole-3-carboxylic acid

C8H9NO2 — CID 62313448

IUPAC4-cyclopropyl-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1c[nH]cc1C1CC1
InChIInChI=1S/C8H9NO2/c10-8(11)7-4-9-3-6(7)5-1-2-5/h3-5,9H,1-2H2,(H,10,11)
InChIKeyFMFHNWWKATXURM-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.59
Rot. Bonds2

About 4-cyclopropyl-1H-pyrrole-3-carboxylic acid

4-cyclopropyl-1H-pyrrole-3-carboxylic acid (PubChem CID 62313448) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-cyclopropyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-1H-pyrrole-3-carboxylic acid
PubChem CID62313448
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4-cyclopropyl-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1c[nH]cc1C1CC1
InChIInChI=1S/C8H9NO2/c10-8(11)7-4-9-3-6(7)5-1-2-5/h3-5,9H,1-2H2,(H,10,11)
InChIKeyFMFHNWWKATXURM-UHFFFAOYSA-N
XLogP1.59
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-cyclopropyl-1H-pyrrole-3-carboxylic acid (CID 62313448) is 4-cyclopropyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-1H-pyrrole-3-carboxylic acid is O=C(O)c1c[nH]cc1C1CC1.
What is the InChIKey of 4-cyclopropyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is FMFHNWWKATXURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-8(11)7-4-9-3-6(7)5-1-2-5/h3-5,9H,1-2H2,(H,10,11).
What are the key properties of 4-cyclopropyl-1H-pyrrole-3-carboxylic acid?
4-cyclopropyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 151.16 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 62313448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).