CID 159244008

C11H12Al2NO2 — CID 159244008

IUPAC—
SMILESCc1cc(C)c2cccc(O[Al]O[AlH2])c2n1
InChIInChI=1S/C11H11NO.2Al.O.2H/c1-7-6-8(2)12-11-9(7)4-3-5-10(11)13;;;;;/h3-6,13H,1-2H3;;;;;/q;;+1;;;/p-1
InChIKeyJJSXFXLOEUKSMV-UHFFFAOYSA-M
MW244.19 g/mol
LogP1.33
Rot. Bonds3

About CID 159244008

CID 159244008 (PubChem CID 159244008) has the molecular formula C11H12Al2NO2 and a molecular weight of 244.19 g/mol.

Molecular Properties

Compound NameCID 159244008
PubChem CID159244008
Molecular FormulaC11H12Al2NO2
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name—
SMILESCc1cc(C)c2cccc(O[Al]O[AlH2])c2n1
InChIInChI=1S/C11H11NO.2Al.O.2H/c1-7-6-8(2)12-11-9(7)4-3-5-10(11)13;;;;;/h3-6,13H,1-2H3;;;;;/q;;+1;;;/p-1
InChIKeyJJSXFXLOEUKSMV-UHFFFAOYSA-M
XLogP1.33
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 159244008?
The IUPAC name of CID 159244008 (CID 159244008) is not available.
What is the SMILES notation for CID 159244008?
The canonical SMILES for CID 159244008 is Cc1cc(C)c2cccc(O[Al]O[AlH2])c2n1.
What is the InChIKey of CID 159244008?
The InChIKey is JJSXFXLOEUKSMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11NO.2Al.O.2H/c1-7-6-8(2)12-11-9(7)4-3-5-10(11)13;;;;;/h3-6,13H,1-2H3;;;;;/q;;+1;;;/p-1.
What are the key properties of CID 159244008?
CID 159244008 has a molecular weight of 244.19 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159244008 is sourced from PubChem (CID 159244008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).