CID 66669094

C8H11AlCl2NO — CID 66669094

IUPAC—
SMILESC=CCc1ccccn1.Cl.Cl.O=[Al]
InChIInChI=1S/C8H9N.Al.2ClH.O/c1-2-5-8-6-3-4-7-9-8;;;;/h2-4,6-7H,1,5H2;;2*1H;
InChIKeyZABVNNJFBICSRA-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.15
Rot. Bonds2

About CID 66669094

CID 66669094 (PubChem CID 66669094) has the molecular formula C8H11AlCl2NO and a molecular weight of 235.07 g/mol.

Molecular Properties

Compound NameCID 66669094
PubChem CID66669094
Molecular FormulaC8H11AlCl2NO
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name—
SMILESC=CCc1ccccn1.Cl.Cl.O=[Al]
InChIInChI=1S/C8H9N.Al.2ClH.O/c1-2-5-8-6-3-4-7-9-8;;;;/h2-4,6-7H,1,5H2;;2*1H;
InChIKeyZABVNNJFBICSRA-UHFFFAOYSA-N
XLogP2.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-(3-pyridin-4-ylprop-2-enyl)pyridine
CID 175215086
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CID 51362589
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
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2-(3,3-dimethylhept-6-enyl)pyridine
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3-prop-2-enyl-2-pyridin-2-ylpyridine
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Frequently Asked Questions

What is the IUPAC name of CID 66669094?
The IUPAC name of CID 66669094 (CID 66669094) is not available.
What is the SMILES notation for CID 66669094?
The canonical SMILES for CID 66669094 is C=CCc1ccccn1.Cl.Cl.O=[Al].
What is the InChIKey of CID 66669094?
The InChIKey is ZABVNNJFBICSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.Al.2ClH.O/c1-2-5-8-6-3-4-7-9-8;;;;/h2-4,6-7H,1,5H2;;2*1H;.
What are the key properties of CID 66669094?
CID 66669094 has a molecular weight of 235.07 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66669094 is sourced from PubChem (CID 66669094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).