3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one

C13H17NO — CID 10867410

IUPAC3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one
SMILESO=C1CCCC2=C1CC1=C(CCCC1)N2
InChIInChI=1S/C13H17NO/c15-13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)14-12/h14H,1-8H2
InChIKeyZILOIGPRMZOCTI-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.81
Rot. Bonds

About 3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one

3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one (PubChem CID 10867410) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one.

Molecular Properties

Compound Name3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one
PubChem CID10867410
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one
SMILESO=C1CCCC2=C1CC1=C(CCCC1)N2
InChIInChI=1S/C13H17NO/c15-13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)14-12/h14H,1-8H2
InChIKeyZILOIGPRMZOCTI-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6,7,8-Tetrahydro-2,5(1H,3H)-quinolinedione
CID 293641
2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 44560612
1,2,3,4,5,6,7,8,9,10-Decahydroacridine-1,8-dione
CID 339235
9H-Cyclopenta(b)quinolin-9-one, 1,2,3,4,5,6,7,8-octahydro-
CID 3041823
2-Methyl-5,6,7,8-tetrahydroquinolin-4(1H)-one
CID 12798227
9-Ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 2729057
1,8(2H,5H)-Acridinedione, 3,4,6,7,9,10-hexahydro-9-methyl-
CID 11680238
1,3,4,5,6,7,8,10-Octahydro-2H-acridin-9-one
CID 58869997
(2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one
CID 11240977
2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one
CID 13634553
(2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one
CID 102089569
Methyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridine
CID 129782172

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one?
The IUPAC name of 3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one (CID 10867410) is 3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one.
What is the SMILES notation for 3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one?
The canonical SMILES for 3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one is O=C1CCCC2=C1CC1=C(CCCC1)N2.
What is the InChIKey of 3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one?
The InChIKey is ZILOIGPRMZOCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)14-12/h14H,1-8H2.
What are the key properties of 3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one?
3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one has a molecular weight of 203.28 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one is sourced from PubChem (CID 10867410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).