(115N)1H-pyrrole-2-carboxylic acid

C5H5NO2 — CID 58083588

IUPAC(115N)1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc[15nH]1
InChIInChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)/i6+1
InChIKeyWRHZVMBBRYBTKZ-PTQBSOBMSA-N
MW112.09 g/mol
LogP0.71
Rot. Bonds1

About (115N)1H-pyrrole-2-carboxylic acid

(115N)1H-pyrrole-2-carboxylic acid (PubChem CID 58083588) has the molecular formula C5H5NO2 and a molecular weight of 112.09 g/mol. Its IUPAC name is (115N)1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(115N)1H-pyrrole-2-carboxylic acid
PubChem CID58083588
Molecular FormulaC5H5NO2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name(115N)1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc[15nH]1
InChIInChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)/i6+1
InChIKeyWRHZVMBBRYBTKZ-PTQBSOBMSA-N
XLogP0.71
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1H-pyrrole-2-carbonyl)benzoic acid
CID 86245125
gold(1+);1H-pyrrole-2-carboxylate
CID 175933038
chromium(3+);tris(1H-pyrrole-2-carboxylate)
CID 161170868
sodium 1H-pyrrole-2-carboxylate
CID 23665788
5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylic acid
CID 145473584
N-hydroxy-N-phenyl-1H-pyrrole-2-carboxamide
CID 22360432
2,2,2-trichloro-1-(1H-pyrrol-2-yl)ethanone
CID 139244757
2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole
CID 132819412
(2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone
CID 10198128
(4-phenylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 51210665
2-oxo-N-phenyl-2-(1H-pyrrol-2-yl)acetamide
CID 53123869
3-amino-4-oxo-4-(1H-pyrrol-2-yl)butanoic acid
CID 53424173

Frequently Asked Questions

What is the IUPAC name of (115N)1H-pyrrole-2-carboxylic acid?
The IUPAC name of (115N)1H-pyrrole-2-carboxylic acid (CID 58083588) is (115N)1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for (115N)1H-pyrrole-2-carboxylic acid?
The canonical SMILES for (115N)1H-pyrrole-2-carboxylic acid is O=C(O)c1ccc[15nH]1.
What is the InChIKey of (115N)1H-pyrrole-2-carboxylic acid?
The InChIKey is WRHZVMBBRYBTKZ-PTQBSOBMSA-N. The full InChI is InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)/i6+1.
What are the key properties of (115N)1H-pyrrole-2-carboxylic acid?
(115N)1H-pyrrole-2-carboxylic acid has a molecular weight of 112.09 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (115N)1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 58083588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).