2-propyl-1H-pyrrole-3-carboxylic acid

C8H11NO2 — CID 68664395

IUPAC2-propyl-1H-pyrrole-3-carboxylic acid
SMILESCCCc1[nH]ccc1C(=O)O
InChIInChI=1S/C8H11NO2/c1-2-3-7-6(8(10)11)4-5-9-7/h4-5,9H,2-3H2,1H3,(H,10,11)
InChIKeyQOKLJOSQNBNSPS-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.67
Rot. Bonds3

About 2-propyl-1H-pyrrole-3-carboxylic acid

2-propyl-1H-pyrrole-3-carboxylic acid (PubChem CID 68664395) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-propyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-propyl-1H-pyrrole-3-carboxylic acid
PubChem CID68664395
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-propyl-1H-pyrrole-3-carboxylic acid
SMILESCCCc1[nH]ccc1C(=O)O
InChIInChI=1S/C8H11NO2/c1-2-3-7-6(8(10)11)4-5-9-7/h4-5,9H,2-3H2,1H3,(H,10,11)
InChIKeyQOKLJOSQNBNSPS-UHFFFAOYSA-N
XLogP1.67
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-propyl-1H-pyrrole-3-carboxylic acid (CID 68664395) is 2-propyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-propyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-propyl-1H-pyrrole-3-carboxylic acid is CCCc1[nH]ccc1C(=O)O.
What is the InChIKey of 2-propyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is QOKLJOSQNBNSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-3-7-6(8(10)11)4-5-9-7/h4-5,9H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-propyl-1H-pyrrole-3-carboxylic acid?
2-propyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 68664395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).