CID 153372942

C13H16Al2N2O2 — CID 153372942

IUPAC—
SMILESCOc1nc(OC)c(C[Al])c(C2CC=C([Al])CC2)n1
InChIInChI=1S/C13H16N2O2.2Al/c1-9-11(10-7-5-4-6-8-10)14-13(17-3)15-12(9)16-2;;/h5,10H,1,6-8H2,2-3H3;;
InChIKeyAVOJGAGMWCYUJG-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.48
Rot. Bonds4

About CID 153372942

CID 153372942 (PubChem CID 153372942) has the molecular formula C13H16Al2N2O2 and a molecular weight of 286.25 g/mol.

Molecular Properties

Compound NameCID 153372942
PubChem CID153372942
Molecular FormulaC13H16Al2N2O2
Molecular Weight286.25 g/mol
Exact Mass286.08
IUPAC Name—
SMILESCOc1nc(OC)c(C[Al])c(C2CC=C([Al])CC2)n1
InChIInChI=1S/C13H16N2O2.2Al/c1-9-11(10-7-5-4-6-8-10)14-13(17-3)15-12(9)16-2;;/h5,10H,1,6-8H2,2-3H3;;
InChIKeyAVOJGAGMWCYUJG-UHFFFAOYSA-N
XLogP1.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 153372942?
The IUPAC name of CID 153372942 (CID 153372942) is not available.
What is the SMILES notation for CID 153372942?
The canonical SMILES for CID 153372942 is COc1nc(OC)c(C[Al])c(C2CC=C([Al])CC2)n1.
What is the InChIKey of CID 153372942?
The InChIKey is AVOJGAGMWCYUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.2Al/c1-9-11(10-7-5-4-6-8-10)14-13(17-3)15-12(9)16-2;;/h5,10H,1,6-8H2,2-3H3;;.
What are the key properties of CID 153372942?
CID 153372942 has a molecular weight of 286.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153372942 is sourced from PubChem (CID 153372942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).