2,3,4,5,6,7-hexahydroacridine-1,8-dione

C13H13NO2 — CID 2728077

IUPAC2,3,4,5,6,7-hexahydroacridine-1,8-dione
SMILESO=C1CCCc2nc3c(cc21)C(=O)CCC3
InChIInChI=1S/C13H13NO2/c15-12-5-1-3-10-8(12)7-9-11(14-10)4-2-6-13(9)16/h7H,1-6H2
InChIKeyANTYWKFHKPMJLE-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.12
Rot. Bonds

About 2,3,4,5,6,7-hexahydroacridine-1,8-dione

2,3,4,5,6,7-hexahydroacridine-1,8-dione (PubChem CID 2728077) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name2,3,4,5,6,7-hexahydroacridine-1,8-dione
PubChem CID2728077
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2,3,4,5,6,7-hexahydroacridine-1,8-dione
SMILESO=C1CCCc2nc3c(cc21)C(=O)CCC3
InChIInChI=1S/C13H13NO2/c15-12-5-1-3-10-8(12)7-9-11(14-10)4-2-6-13(9)16/h7H,1-6H2
InChIKeyANTYWKFHKPMJLE-UHFFFAOYSA-N
XLogP2.12
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexahydroacridine-1,8-dione?
The IUPAC name of 2,3,4,5,6,7-hexahydroacridine-1,8-dione (CID 2728077) is 2,3,4,5,6,7-hexahydroacridine-1,8-dione.
What is the SMILES notation for 2,3,4,5,6,7-hexahydroacridine-1,8-dione?
The canonical SMILES for 2,3,4,5,6,7-hexahydroacridine-1,8-dione is O=C1CCCc2nc3c(cc21)C(=O)CCC3.
What is the InChIKey of 2,3,4,5,6,7-hexahydroacridine-1,8-dione?
The InChIKey is ANTYWKFHKPMJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-5-1-3-10-8(12)7-9-11(14-10)4-2-6-13(9)16/h7H,1-6H2.
What are the key properties of 2,3,4,5,6,7-hexahydroacridine-1,8-dione?
2,3,4,5,6,7-hexahydroacridine-1,8-dione has a molecular weight of 215.25 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexahydroacridine-1,8-dione is sourced from PubChem (CID 2728077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).