2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one

C13H15NO — CID 91272818

IUPAC2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one
SMILESO=C1CCCC2C=C3C=CC=CC3NC12
InChIInChI=1S/C13H15NO/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14-13(10)12/h1-2,4,6,8,10-11,13-14H,3,5,7H2
InChIKeyLCWBVTYKQGRIRU-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.75
Rot. Bonds

About 2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one

2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one (PubChem CID 91272818) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one.

Molecular Properties

Compound Name2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one
PubChem CID91272818
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one
SMILESO=C1CCCC2C=C3C=CC=CC3NC12
InChIInChI=1S/C13H15NO/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14-13(10)12/h1-2,4,6,8,10-11,13-14H,3,5,7H2
InChIKeyLCWBVTYKQGRIRU-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4,4a,5-Hexahydroisoquinolin-3-yl)-2,2,2-trifluoroethanone
CID 67104330
2-Cyclohexa-1,5-dien-1-yl-2-(2-fluoroethylamino)cyclohexan-1-one
CID 156803318
Octahydro-phenanthridone
CID 129788294
Octahydrophenanthridinedione
CID 129796295
Octahydroacridin-4-one
CID 132493801
2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one
CID 19707352
2,4a,5,7,8,8a-hexahydro-1H-quinolin-6-one
CID 22154187
2,4,4a,8a-tetrahydro-1H-quinolin-3-one
CID 53739267
(4aR,8aS)-2,4a,5,7,8,8a-hexahydro-1H-quinolin-6-one
CID 54456542
2,3,4,4a,7,8a-hexahydro-1H-quinolin-8-one
CID 56980167
2,3,4,4a,6,6a,7,8-octahydro-1H-benzo[f]quinolin-5-one
CID 67436443
2,4,4a,5,6,6a-hexahydro-1H-phenanthridin-3-one
CID 67726487

Frequently Asked Questions

What is the IUPAC name of 2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one?
The IUPAC name of 2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one (CID 91272818) is 2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one.
What is the SMILES notation for 2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one?
The canonical SMILES for 2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one is O=C1CCCC2C=C3C=CC=CC3NC12.
What is the InChIKey of 2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one?
The InChIKey is LCWBVTYKQGRIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14-13(10)12/h1-2,4,6,8,10-11,13-14H,3,5,7H2.
What are the key properties of 2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one?
2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one has a molecular weight of 201.27 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,9a,10,10a-hexahydro-1H-acridin-4-one is sourced from PubChem (CID 91272818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).