CID 87715049

C15H22BrNSiZr-4 — CID 87715049

IUPAC—
SMILESBrc1c[cH-]c2ccccc12.CC(C)(C)[NH-].[CH3-].[CH3-].[Si]=[Zr]
InChIInChI=1S/C9H6Br.C4H10N.2CH3.Si.Zr/c10-9-6-5-7-3-1-2-4-8(7)9;1-4(2,3)5;;;;/h1-6H;5H,1-3H3;2*1H3;;/q4*-1;;
InChIKeyBMUYZXCVUUMAIL-UHFFFAOYSA-N
MW415.56 g/mol
LogP5.68
Rot. Bonds

About CID 87715049

CID 87715049 (PubChem CID 87715049) has the molecular formula C15H22BrNSiZr-4 and a molecular weight of 415.56 g/mol.

Molecular Properties

Compound NameCID 87715049
PubChem CID87715049
Molecular FormulaC15H22BrNSiZr-4
Molecular Weight415.56 g/mol
Exact Mass412.98
IUPAC Name—
SMILESBrc1c[cH-]c2ccccc12.CC(C)(C)[NH-].[CH3-].[CH3-].[Si]=[Zr]
InChIInChI=1S/C9H6Br.C4H10N.2CH3.Si.Zr/c10-9-6-5-7-3-1-2-4-8(7)9;1-4(2,3)5;;;;/h1-6H;5H,1-3H3;2*1H3;;/q4*-1;;
InChIKeyBMUYZXCVUUMAIL-UHFFFAOYSA-N
XLogP5.68
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.56
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 87715049?
The IUPAC name of CID 87715049 (CID 87715049) is not available.
What is the SMILES notation for CID 87715049?
The canonical SMILES for CID 87715049 is Brc1c[cH-]c2ccccc12.CC(C)(C)[NH-].[CH3-].[CH3-].[Si]=[Zr].
What is the InChIKey of CID 87715049?
The InChIKey is BMUYZXCVUUMAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br.C4H10N.2CH3.Si.Zr/c10-9-6-5-7-3-1-2-4-8(7)9;1-4(2,3)5;;;;/h1-6H;5H,1-3H3;2*1H3;;/q4*-1;;.
What are the key properties of CID 87715049?
CID 87715049 has a molecular weight of 415.56 g/mol, XLogP of 5.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87715049 is sourced from PubChem (CID 87715049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).