5-acetyl-2H-pyrrole-3-carboxylic acid

C7H7NO3 — CID 147554535

IUPAC5-acetyl-2H-pyrrole-3-carboxylic acid
SMILESCC(=O)C1=NCC(C(=O)O)=C1
InChIInChI=1S/C7H7NO3/c1-4(9)6-2-5(3-8-6)7(10)11/h2H,3H2,1H3,(H,10,11)
InChIKeyFRKRICHCUYKZSW-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.04
Rot. Bonds2

About 5-acetyl-2H-pyrrole-3-carboxylic acid

5-acetyl-2H-pyrrole-3-carboxylic acid (PubChem CID 147554535) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 5-acetyl-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2H-pyrrole-3-carboxylic acid
PubChem CID147554535
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name5-acetyl-2H-pyrrole-3-carboxylic acid
SMILESCC(=O)C1=NCC(C(=O)O)=C1
InChIInChI=1S/C7H7NO3/c1-4(9)6-2-5(3-8-6)7(10)11/h2H,3H2,1H3,(H,10,11)
InChIKeyFRKRICHCUYKZSW-UHFFFAOYSA-N
XLogP0.04
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(trifluoromethyl)-2H-pyrrole-3-carboxylic acid
CID 159394197
5-methyl-2H-pyrrole-4-carboxylic acid
CID 58158813
5-methyl-2H-pyrrole-3-carboxylic acid
CID 58564610
2,5-dimethyl-2H-pyrrole-3-carboxylic acid
CID 68765559
6-Methyl-2,5-dihydropyridine-3-carboxylic acid
CID 123158547
6-hydroxy-2H-indole-3-carboxylic acid
CID 151759824
5-acetyl-4-methyl-2H-pyrrole-3-carboxylic acid
CID 158513136
5-hydroxy-2H-indole-3-carboxylic acid
CID 124517541
3-acetyl-2H-pyrrole-5-carboxylic acid
CID 125371956
5-cyclopropyl-2H-pyrrole-3-carboxylic acid
CID 157137508
5-propan-2-yl-2H-pyrrole-3-carboxylic acid
CID 157182697
5-(2-methylpropyl)-2H-pyrrole-3-carboxylic acid
CID 157749704

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-acetyl-2H-pyrrole-3-carboxylic acid (CID 147554535) is 5-acetyl-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-acetyl-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-acetyl-2H-pyrrole-3-carboxylic acid is CC(=O)C1=NCC(C(=O)O)=C1.
What is the InChIKey of 5-acetyl-2H-pyrrole-3-carboxylic acid?
The InChIKey is FRKRICHCUYKZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-4(9)6-2-5(3-8-6)7(10)11/h2H,3H2,1H3,(H,10,11).
What are the key properties of 5-acetyl-2H-pyrrole-3-carboxylic acid?
5-acetyl-2H-pyrrole-3-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 147554535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).