bis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate

C15H12AlN3O6 — CID 156633845

IUPACbis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate
SMILESO=C(O[Al](OC(=O)c1ccc[nH]1)OC(=O)c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/3C5H5NO2.Al/c3*7-5(8)4-2-1-3-6-4;/h3*1-3,6H,(H,7,8);/q;;;+3/p-3
InChIKeyNGNRAXBRDPYMMH-UHFFFAOYSA-K
MW357.26 g/mol
LogP1.53
Rot. Bonds6

About bis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate

bis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate (PubChem CID 156633845) has the molecular formula C15H12AlN3O6 and a molecular weight of 357.26 g/mol. Its IUPAC name is bis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namebis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate
PubChem CID156633845
Molecular FormulaC15H12AlN3O6
Molecular Weight357.26 g/mol
Exact Mass357.05
IUPAC Namebis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate
SMILESO=C(O[Al](OC(=O)c1ccc[nH]1)OC(=O)c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/3C5H5NO2.Al/c3*7-5(8)4-2-1-3-6-4;/h3*1-3,6H,(H,7,8);/q;;;+3/p-3
InChIKeyNGNRAXBRDPYMMH-UHFFFAOYSA-K
XLogP1.53
TPSA126.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate?
The IUPAC name of bis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate (CID 156633845) is bis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate.
What is the SMILES notation for bis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate?
The canonical SMILES for bis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate is O=C(O[Al](OC(=O)c1ccc[nH]1)OC(=O)c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of bis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate?
The InChIKey is NGNRAXBRDPYMMH-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H5NO2.Al/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 bis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate?
bis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate has a molecular weight of 357.26 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-pyrrole-2-carbonyloxy)alumanyl 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 156633845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).