chromium(3+);tris(1H-pyrrole-2-carboxylate)

C15H12CrN3O6 — CID 161170868

IUPACchromium(3+);tris(1H-pyrrole-2-carboxylate)
SMILESO=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.[Cr+3]
InChIInChI=1S/3C5H5NO2.Cr/c3*7-5(8)4-2-1-3-6-4;/h3*1-3,6H,(H,7,8);/q;;;+3/p-3
InChIKeyURDQYGRHTASMDH-UHFFFAOYSA-K
MW382.27 g/mol
LogP-1.87
Rot. Bonds3

About chromium(3+);tris(1H-pyrrole-2-carboxylate)

chromium(3+);tris(1H-pyrrole-2-carboxylate) (PubChem CID 161170868) has the molecular formula C15H12CrN3O6 and a molecular weight of 382.27 g/mol. Its IUPAC name is chromium(3+);tris(1H-pyrrole-2-carboxylate).

Molecular Properties

Compound Namechromium(3+);tris(1H-pyrrole-2-carboxylate)
PubChem CID161170868
Molecular FormulaC15H12CrN3O6
Molecular Weight382.27 g/mol
Exact Mass382.01
IUPAC Namechromium(3+);tris(1H-pyrrole-2-carboxylate)
SMILESO=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.[Cr+3]
InChIInChI=1S/3C5H5NO2.Cr/c3*7-5(8)4-2-1-3-6-4;/h3*1-3,6H,(H,7,8);/q;;;+3/p-3
InChIKeyURDQYGRHTASMDH-UHFFFAOYSA-K
XLogP-1.87
TPSA167.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of chromium(3+);tris(1H-pyrrole-2-carboxylate)?
The IUPAC name of chromium(3+);tris(1H-pyrrole-2-carboxylate) (CID 161170868) is chromium(3+);tris(1H-pyrrole-2-carboxylate).
What is the SMILES notation for chromium(3+);tris(1H-pyrrole-2-carboxylate)?
The canonical SMILES for chromium(3+);tris(1H-pyrrole-2-carboxylate) is O=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.[Cr+3].
What is the InChIKey of chromium(3+);tris(1H-pyrrole-2-carboxylate)?
The InChIKey is URDQYGRHTASMDH-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H5NO2.Cr/c3*7-5(8)4-2-1-3-6-4;/h3*1-3,6H,(H,7,8);/q;;;+3/p-3.
What are the key properties of chromium(3+);tris(1H-pyrrole-2-carboxylate)?
chromium(3+);tris(1H-pyrrole-2-carboxylate) has a molecular weight of 382.27 g/mol, XLogP of -1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);tris(1H-pyrrole-2-carboxylate) is sourced from PubChem (CID 161170868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).