3-propan-2-yl-2H-pyrrole-5-carboxylic acid

C8H11NO2 — CID 157182486

IUPAC3-propan-2-yl-2H-pyrrole-5-carboxylic acid
SMILESCC(C)C1=CC(C(=O)O)=NC1
InChIInChI=1S/C8H11NO2/c1-5(2)6-3-7(8(10)11)9-4-6/h3,5H,4H2,1-2H3,(H,10,11)
InChIKeyYYGXLQPMPVFIKU-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.11
Rot. Bonds2

About 3-propan-2-yl-2H-pyrrole-5-carboxylic acid

3-propan-2-yl-2H-pyrrole-5-carboxylic acid (PubChem CID 157182486) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-propan-2-yl-2H-pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-2H-pyrrole-5-carboxylic acid
PubChem CID157182486
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-propan-2-yl-2H-pyrrole-5-carboxylic acid
SMILESCC(C)C1=CC(C(=O)O)=NC1
InChIInChI=1S/C8H11NO2/c1-5(2)6-3-7(8(10)11)9-4-6/h3,5H,4H2,1-2H3,(H,10,11)
InChIKeyYYGXLQPMPVFIKU-UHFFFAOYSA-N
XLogP1.11
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-methylthiophen-2-yl)-3-propan-2-yl-2H-pyrrole
CID 167584661
N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 91240753
3-propan-2-ylcyclopenta-1,3-diene-1-carboxylic acid
CID 162158340
2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one
CID 157310035
(1S,2S)-4-propan-2-ylcyclohex-4-ene-1,2-dicarboxylic acid
CID 792887
(2S)-2-(2-aminopyrimidin-5-yl)-3-methylbutanoic acid
CID 67928006
4-chloroazete-2-carboxylic acid
CID 22743617
6-methyl-4-propan-2-yl-2,3-dihydropyridine
CID 123604478
2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid
CID 90820119
10-(4-propan-2-ylphenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene-3-carboxylic acid
CID 82030708
2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid
CID 83820785
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533417

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2H-pyrrole-5-carboxylic acid?
The IUPAC name of 3-propan-2-yl-2H-pyrrole-5-carboxylic acid (CID 157182486) is 3-propan-2-yl-2H-pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-2H-pyrrole-5-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-2H-pyrrole-5-carboxylic acid is CC(C)C1=CC(C(=O)O)=NC1.
What is the InChIKey of 3-propan-2-yl-2H-pyrrole-5-carboxylic acid?
The InChIKey is YYGXLQPMPVFIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5(2)6-3-7(8(10)11)9-4-6/h3,5H,4H2,1-2H3,(H,10,11).
What are the key properties of 3-propan-2-yl-2H-pyrrole-5-carboxylic acid?
3-propan-2-yl-2H-pyrrole-5-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2H-pyrrole-5-carboxylic acid is sourced from PubChem (CID 157182486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).