3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one

C13H15NO — CID 151716763

IUPAC3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one
SMILESO=C1CCC2NC3CC=CC=C3C=C2C1
InChIInChI=1S/C13H15NO/c15-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14-13/h1-3,7,12-14H,4-6,8H2
InChIKeyRHSLPKWMDBHJFD-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.89
Rot. Bonds

About 3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one

3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one (PubChem CID 151716763) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one.

Molecular Properties

Compound Name3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one
PubChem CID151716763
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one
SMILESO=C1CCC2NC3CC=CC=C3C=C2C1
InChIInChI=1S/C13H15NO/c15-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14-13/h1-3,7,12-14H,4-6,8H2
InChIKeyRHSLPKWMDBHJFD-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Octahydroacridinedione
CID 129740238
Octahydrophenanthridinedione
CID 129796295
Octahydroacridin-4-one
CID 132493801
Hexahydroacridine-dione
CID 172638235
5,6-dihydro-4aH-phenanthridin-10-one
CID 18187437
5,8a-dihydro-1H-quinolin-6-one
CID 19886271
2,4a,5,7,8,8a-hexahydro-1H-quinolin-6-one
CID 22154187
(4aR,8aS)-2,4a,5,7,8,8a-hexahydro-1H-quinolin-6-one
CID 54456542
2,4,4a,5,6,6a-hexahydro-1H-phenanthridin-3-one
CID 67726487
3,4,4a,5,10,10a-hexahydro-2H-acridin-1-one
CID 68149921
Cyclohexanone;6-methyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine
CID 69370370
1,2,3,4,4a,5,10,10a-Octahydroacridine;cyclohexanone;formaldehyde
CID 69371311

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one?
The IUPAC name of 3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one (CID 151716763) is 3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one.
What is the SMILES notation for 3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one?
The canonical SMILES for 3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one is O=C1CCC2NC3CC=CC=C3C=C2C1.
What is the InChIKey of 3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one?
The InChIKey is RHSLPKWMDBHJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14-13/h1-3,7,12-14H,4-6,8H2.
What are the key properties of 3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one?
3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one has a molecular weight of 201.27 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,10,10a-hexahydro-1H-acridin-2-one is sourced from PubChem (CID 151716763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).