tris(1H-pyrrole-2-carboxylic acid);terbium

C15H15N3O6Tb — CID 171115299

IUPACtris(1H-pyrrole-2-carboxylic acid);terbium
SMILESO=C(O)c1ccc[nH]1.O=C(O)c1ccc[nH]1.O=C(O)c1ccc[nH]1.[Tb]
InChIInChI=1S/3C5H5NO2.Tb/c3*7-5(8)4-2-1-3-6-4;/h3*1-3,6H,(H,7,8);
InChIKeyZENHWSONGVUCNQ-UHFFFAOYSA-N
MW492.23 g/mol
LogP2.14
Rot. Bonds3

About tris(1H-pyrrole-2-carboxylic acid);terbium

tris(1H-pyrrole-2-carboxylic acid);terbium (PubChem CID 171115299) has the molecular formula C15H15N3O6Tb and a molecular weight of 492.23 g/mol. Its IUPAC name is tris(1H-pyrrole-2-carboxylic acid);terbium.

Molecular Properties

Compound Nametris(1H-pyrrole-2-carboxylic acid);terbium
PubChem CID171115299
Molecular FormulaC15H15N3O6Tb
Molecular Weight492.23 g/mol
Exact Mass492.02
IUPAC Nametris(1H-pyrrole-2-carboxylic acid);terbium
SMILESO=C(O)c1ccc[nH]1.O=C(O)c1ccc[nH]1.O=C(O)c1ccc[nH]1.[Tb]
InChIInChI=1S/3C5H5NO2.Tb/c3*7-5(8)4-2-1-3-6-4;/h3*1-3,6H,(H,7,8);
InChIKeyZENHWSONGVUCNQ-UHFFFAOYSA-N
XLogP2.14
TPSA159.27 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.23
LogP ≤ 52.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(1H-pyrrole-2-carboxylic acid);terbium?
The IUPAC name of tris(1H-pyrrole-2-carboxylic acid);terbium (CID 171115299) is tris(1H-pyrrole-2-carboxylic acid);terbium.
What is the SMILES notation for tris(1H-pyrrole-2-carboxylic acid);terbium?
The canonical SMILES for tris(1H-pyrrole-2-carboxylic acid);terbium is O=C(O)c1ccc[nH]1.O=C(O)c1ccc[nH]1.O=C(O)c1ccc[nH]1.[Tb].
What is the InChIKey of tris(1H-pyrrole-2-carboxylic acid);terbium?
The InChIKey is ZENHWSONGVUCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H5NO2.Tb/c3*7-5(8)4-2-1-3-6-4;/h3*1-3,6H,(H,7,8);.
What are the key properties of tris(1H-pyrrole-2-carboxylic acid);terbium?
tris(1H-pyrrole-2-carboxylic acid);terbium has a molecular weight of 492.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1H-pyrrole-2-carboxylic acid);terbium is sourced from PubChem (CID 171115299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).