4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid

C11H10N2O3 — CID 145068783

IUPAC4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid
SMILESCC(=O)n1cccc1-c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H10N2O3/c1-7(14)13-4-2-3-10(13)8-5-9(11(15)16)12-6-8/h2-6,12H,1H3,(H,15,16)
InChIKeyZHWGYSKRUNBKJS-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.84
Rot. Bonds2

About 4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid

4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 145068783) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID145068783
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid
SMILESCC(=O)n1cccc1-c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H10N2O3/c1-7(14)13-4-2-3-10(13)8-5-9(11(15)16)12-6-8/h2-6,12H,1H3,(H,15,16)
InChIKeyZHWGYSKRUNBKJS-UHFFFAOYSA-N
XLogP1.84
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 84671303
4-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid
CID 45496738
4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid
CID 83536330
4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid
CID 147324175
ethane;3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 143757787
1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone
CID 170722955
4-benzoyl-1H-pyrrole-2-carboxylic acid
CID 2763446
4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 165455449
4-chloro-1H-pyrrole-2-carboxylic acid
CID 7130842
4-arsanyl-1H-pyrrole-2-carboxylic acid
CID 173183216
CID 89332514
CID 89332514
4-(2-phenylethyl)-1H-pyrrole-2-carboxylic acid
CID 11845294

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid (CID 145068783) is 4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid is CC(=O)n1cccc1-c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is ZHWGYSKRUNBKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7(14)13-4-2-3-10(13)8-5-9(11(15)16)12-6-8/h2-6,12H,1H3,(H,15,16).
What are the key properties of 4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid?
4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpyrrol-2-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 145068783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).