1-methanidyl-1H-indene;zirconium

C10H9Zr- — CID 172710761

IUPAC1-methanidyl-1H-indene;zirconium
SMILES[CH2-]C1C=Cc2ccccc21.[Zr]
InChIInChI=1S/C10H9.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;/h2-8H,1H2;/q-1;
InChIKeyXITOLHQBZLQUQM-UHFFFAOYSA-N
MW220.41 g/mol
LogP2.63
Rot. Bonds

About 1-methanidyl-1H-indene;zirconium

1-methanidyl-1H-indene;zirconium (PubChem CID 172710761) has the molecular formula C10H9Zr- and a molecular weight of 220.41 g/mol. Its IUPAC name is 1-methanidyl-1H-indene;zirconium.

Molecular Properties

Compound Name1-methanidyl-1H-indene;zirconium
PubChem CID172710761
Molecular FormulaC10H9Zr-
Molecular Weight220.41 g/mol
Exact Mass218.98
IUPAC Name1-methanidyl-1H-indene;zirconium
SMILES[CH2-]C1C=Cc2ccccc21.[Zr]
InChIInChI=1S/C10H9.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;/h2-8H,1H2;/q-1;
InChIKeyXITOLHQBZLQUQM-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methanidyl-1H-indene;1-pentyl-1H-indene;zirconium(2+)
CID 173133840
1-butyl-1H-indene;dichlorozirconium;ethane;1-methanidyl-1H-indene
CID 87934376
(1S)-1-phenyl-1H-indene
CID 86309914
1H-inden-1-amine
CID 14298803
1H-inden-1-yl(trimethyl)plumbane
CID 23269464
hydron;1H-inden-1-ol
CID 174812636
CID 10809432
CID 10809432
CID 119077465
CID 119077465
tetrakis(1H-inden-1-yl)silane
CID 18688182
1-[tris(1H-inden-1-yl)methyl]-1H-indene
CID 57113891
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215

Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-1H-indene;zirconium?
The IUPAC name of 1-methanidyl-1H-indene;zirconium (CID 172710761) is 1-methanidyl-1H-indene;zirconium.
What is the SMILES notation for 1-methanidyl-1H-indene;zirconium?
The canonical SMILES for 1-methanidyl-1H-indene;zirconium is [CH2-]C1C=Cc2ccccc21.[Zr].
What is the InChIKey of 1-methanidyl-1H-indene;zirconium?
The InChIKey is XITOLHQBZLQUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;/h2-8H,1H2;/q-1;.
What are the key properties of 1-methanidyl-1H-indene;zirconium?
1-methanidyl-1H-indene;zirconium has a molecular weight of 220.41 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-1H-indene;zirconium is sourced from PubChem (CID 172710761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).