1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride

C13H12Cl2NZr- — CID 87862862

IUPAC1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride
SMILESCl.Cl.[Zr].c1ccc2c(c1)cc[c-]2-n1cccc1
InChIInChI=1S/C13H10N.2ClH.Zr/c1-2-6-12-11(5-1)7-8-13(12)14-9-3-4-10-14;;;/h1-10H;2*1H;/q-1;;;
InChIKeyXLNLIOSBTVDHAK-UHFFFAOYSA-N
MW344.38 g/mol
LogP4.19
Rot. Bonds1

About 1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride

1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride (PubChem CID 87862862) has the molecular formula C13H12Cl2NZr- and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride.

Molecular Properties

Compound Name1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride
PubChem CID87862862
Molecular FormulaC13H12Cl2NZr-
Molecular Weight344.38 g/mol
Exact Mass341.94
IUPAC Name1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride
SMILESCl.Cl.[Zr].c1ccc2c(c1)cc[c-]2-n1cccc1
InChIInChI=1S/C13H10N.2ClH.Zr/c1-2-6-12-11(5-1)7-8-13(12)14-9-3-4-10-14;;;/h1-10H;2*1H;/q-1;;;
InChIKeyXLNLIOSBTVDHAK-UHFFFAOYSA-N
XLogP4.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride?
The IUPAC name of 1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride (CID 87862862) is 1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride.
What is the SMILES notation for 1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride?
The canonical SMILES for 1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride is Cl.Cl.[Zr].c1ccc2c(c1)cc[c-]2-n1cccc1.
What is the InChIKey of 1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride?
The InChIKey is XLNLIOSBTVDHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N.2ClH.Zr/c1-2-6-12-11(5-1)7-8-13(12)14-9-3-4-10-14;;;/h1-10H;2*1H;/q-1;;;.
What are the key properties of 1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride?
1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride has a molecular weight of 344.38 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-inden-1-id-1-ylpyrrole;zirconium;dihydrochloride is sourced from PubChem (CID 87862862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).