2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione

C13H17NO2 — CID 54470530

IUPAC2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione
SMILESO=C1CCCC2NC3CCCC(=O)C3C=C12
InChIInChI=1S/C13H17NO2/c15-12-5-1-3-10-8(12)7-9-11(14-10)4-2-6-13(9)16/h7-8,10-11,14H,1-6H2
InChIKeyXIAKEGRVDSZHMH-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.38
Rot. Bonds

About 2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione

2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione (PubChem CID 54470530) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione
PubChem CID54470530
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione
SMILESO=C1CCCC2NC3CCCC(=O)C3C=C12
InChIInChI=1S/C13H17NO2/c15-12-5-1-3-10-8(12)7-9-11(14-10)4-2-6-13(9)16/h7-8,10-11,14H,1-6H2
InChIKeyXIAKEGRVDSZHMH-UHFFFAOYSA-N
XLogP1.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione?
The IUPAC name of 2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione (CID 54470530) is 2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione.
What is the SMILES notation for 2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione?
The canonical SMILES for 2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione is O=C1CCCC2NC3CCCC(=O)C3C=C12.
What is the InChIKey of 2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione?
The InChIKey is XIAKEGRVDSZHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12-5-1-3-10-8(12)7-9-11(14-10)4-2-6-13(9)16/h7-8,10-11,14H,1-6H2.
What are the key properties of 2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione?
2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione has a molecular weight of 219.28 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,8a,10,10a-decahydroacridine-1,8-dione is sourced from PubChem (CID 54470530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).