1-methanidyl-2-methyl-1H-indene;zirconium

C11H11Zr- — CID 173317989

IUPAC1-methanidyl-2-methyl-1H-indene;zirconium
SMILES[CH2-]C1C(C)=Cc2ccccc21.[Zr]
InChIInChI=1S/C11H11.Zr/c1-8-7-10-5-3-4-6-11(10)9(8)2;/h3-7,9H,2H2,1H3;/q-1;
InChIKeyXQGGYVLVOHKXQB-UHFFFAOYSA-N
MW234.43 g/mol
LogP3.02
Rot. Bonds

About 1-methanidyl-2-methyl-1H-indene;zirconium

1-methanidyl-2-methyl-1H-indene;zirconium (PubChem CID 173317989) has the molecular formula C11H11Zr- and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-methanidyl-2-methyl-1H-indene;zirconium.

Molecular Properties

Compound Name1-methanidyl-2-methyl-1H-indene;zirconium
PubChem CID173317989
Molecular FormulaC11H11Zr-
Molecular Weight234.43 g/mol
Exact Mass232.99
IUPAC Name1-methanidyl-2-methyl-1H-indene;zirconium
SMILES[CH2-]C1C(C)=Cc2ccccc21.[Zr]
InChIInChI=1S/C11H11.Zr/c1-8-7-10-5-3-4-6-11(10)9(8)2;/h3-7,9H,2H2,1H3;/q-1;
InChIKeyXQGGYVLVOHKXQB-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.43
LogP ≤ 53.02
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

bis(2-methyl-1H-inden-1-yl)silane
CID 154500398
tetrakis(2-methyl-1H-inden-1-yl)silane
CID 54395226
1-ethyl-2-methyl-1H-indene
CID 12910549
trimethyl-[(1S)-2-methyl-1H-inden-1-yl]silane
CID 99738416
[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-dimethyl-(2-methyl-1H-inden-1-yl)silane
CID 100983121
chloro-tris(2-methyl-1H-inden-1-yl)silane
CID 54305128
1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene
CID 140629889
1-(1,1-diphenylethyl)-2-methyl-1H-indene
CID 140629859
chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane
CID 54510679
2-(2-methyl-1H-inden-1-yl)acetic acid
CID 150876820
2-[2-(2-methyl-1H-inden-1-yl)phenyl]propan-2-ol
CID 139951458
2-methoxy-1-[2-(2-methoxy-1H-inden-1-yl)phenyl]-1H-indene
CID 151729793

Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-2-methyl-1H-indene;zirconium?
The IUPAC name of 1-methanidyl-2-methyl-1H-indene;zirconium (CID 173317989) is 1-methanidyl-2-methyl-1H-indene;zirconium.
What is the SMILES notation for 1-methanidyl-2-methyl-1H-indene;zirconium?
The canonical SMILES for 1-methanidyl-2-methyl-1H-indene;zirconium is [CH2-]C1C(C)=Cc2ccccc21.[Zr].
What is the InChIKey of 1-methanidyl-2-methyl-1H-indene;zirconium?
The InChIKey is XQGGYVLVOHKXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11.Zr/c1-8-7-10-5-3-4-6-11(10)9(8)2;/h3-7,9H,2H2,1H3;/q-1;.
What are the key properties of 1-methanidyl-2-methyl-1H-indene;zirconium?
1-methanidyl-2-methyl-1H-indene;zirconium has a molecular weight of 234.43 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-2-methyl-1H-indene;zirconium is sourced from PubChem (CID 173317989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).