CID 140848317

C7H9AlNO — CID 140848317

IUPAC—
SMILESCO[Al]c1ccc(N)cc1
InChIInChI=1S/C6H6N.CH3O.Al/c7-6-4-2-1-3-5-6;1-2;/h2-5H,7H2;1H3;/q;-1;+1
InChIKeyXEEAHDRHOUIXEZ-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.16
Rot. Bonds2

About CID 140848317

CID 140848317 (PubChem CID 140848317) has the molecular formula C7H9AlNO and a molecular weight of 150.14 g/mol.

Molecular Properties

Compound NameCID 140848317
PubChem CID140848317
Molecular FormulaC7H9AlNO
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name—
SMILESCO[Al]c1ccc(N)cc1
InChIInChI=1S/C6H6N.CH3O.Al/c7-6-4-2-1-3-5-6;1-2;/h2-5H,7H2;1H3;/q;-1;+1
InChIKeyXEEAHDRHOUIXEZ-UHFFFAOYSA-N
XLogP0.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 140848317?
The IUPAC name of CID 140848317 (CID 140848317) is not available.
What is the SMILES notation for CID 140848317?
The canonical SMILES for CID 140848317 is CO[Al]c1ccc(N)cc1.
What is the InChIKey of CID 140848317?
The InChIKey is XEEAHDRHOUIXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.CH3O.Al/c7-6-4-2-1-3-5-6;1-2;/h2-5H,7H2;1H3;/q;-1;+1.
What are the key properties of CID 140848317?
CID 140848317 has a molecular weight of 150.14 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140848317 is sourced from PubChem (CID 140848317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).