3,4,4a,5,10,10a-hexahydroacridine-1,2-dione

C13H13NO2 — CID 172638235

IUPAC3,4,4a,5,10,10a-hexahydroacridine-1,2-dione
SMILESO=C1CCC2NC3CC=CC=C3C=C2C1=O
InChIInChI=1S/C13H13NO2/c15-12-6-5-11-9(13(12)16)7-8-3-1-2-4-10(8)14-11/h1-3,7,10-11,14H,4-6H2
InChIKeyLLDVBTMXFBEWKR-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.07
Rot. Bonds

About 3,4,4a,5,10,10a-hexahydroacridine-1,2-dione

3,4,4a,5,10,10a-hexahydroacridine-1,2-dione (PubChem CID 172638235) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3,4,4a,5,10,10a-hexahydroacridine-1,2-dione.

Molecular Properties

Compound Name3,4,4a,5,10,10a-hexahydroacridine-1,2-dione
PubChem CID172638235
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3,4,4a,5,10,10a-hexahydroacridine-1,2-dione
SMILESO=C1CCC2NC3CC=CC=C3C=C2C1=O
InChIInChI=1S/C13H13NO2/c15-12-6-5-11-9(13(12)16)7-8-3-1-2-4-10(8)14-11/h1-3,7,10-11,14H,4-6H2
InChIKeyLLDVBTMXFBEWKR-UHFFFAOYSA-N
XLogP1.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,10,10a-hexahydroacridine-1,2-dione?
The IUPAC name of 3,4,4a,5,10,10a-hexahydroacridine-1,2-dione (CID 172638235) is 3,4,4a,5,10,10a-hexahydroacridine-1,2-dione.
What is the SMILES notation for 3,4,4a,5,10,10a-hexahydroacridine-1,2-dione?
The canonical SMILES for 3,4,4a,5,10,10a-hexahydroacridine-1,2-dione is O=C1CCC2NC3CC=CC=C3C=C2C1=O.
What is the InChIKey of 3,4,4a,5,10,10a-hexahydroacridine-1,2-dione?
The InChIKey is LLDVBTMXFBEWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-6-5-11-9(13(12)16)7-8-3-1-2-4-10(8)14-11/h1-3,7,10-11,14H,4-6H2.
What are the key properties of 3,4,4a,5,10,10a-hexahydroacridine-1,2-dione?
3,4,4a,5,10,10a-hexahydroacridine-1,2-dione has a molecular weight of 215.25 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,10,10a-hexahydroacridine-1,2-dione is sourced from PubChem (CID 172638235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).