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

C13H17NO — CID 58869997

IUPAC2,3,4,5,6,7,8,10-octahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3c1CCCC3)CCCC2
InChIInChI=1S/C13H17NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H2,(H,14,15)
InChIKeyNTUMKASHRHPKLA-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.13
Rot. Bonds

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

2,3,4,5,6,7,8,10-octahydro-1H-acridin-9-one (PubChem CID 58869997) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2,3,4,5,6,7,8,10-octahydro-1H-acridin-9-one.

Molecular Properties

Compound Name2,3,4,5,6,7,8,10-octahydro-1H-acridin-9-one
PubChem CID58869997
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2,3,4,5,6,7,8,10-octahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3c1CCCC3)CCCC2
InChIInChI=1S/C13H17NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H2,(H,14,15)
InChIKeyNTUMKASHRHPKLA-UHFFFAOYSA-N
XLogP2.13
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,5,7,8,9,10-octahydro-1H-phenanthridin-6-one
CID 2306217
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
2-(Trifluoromethyl)-5,6,7,8-tetrahydroquinolin-4-ol
CID 15171318
2-Methyl-4-hydroxy-3-chloro-5,6,7,8-tetrahydroquinoline
CID 13283168
Methyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridine
CID 129782172
6-fluoro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 168262166
3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one
CID 10867410

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8,10-octahydro-1H-acridin-9-one?
The IUPAC name of 2,3,4,5,6,7,8,10-octahydro-1H-acridin-9-one (CID 58869997) is 2,3,4,5,6,7,8,10-octahydro-1H-acridin-9-one.
What is the SMILES notation for 2,3,4,5,6,7,8,10-octahydro-1H-acridin-9-one?
The canonical SMILES for 2,3,4,5,6,7,8,10-octahydro-1H-acridin-9-one is O=c1c2c([nH]c3c1CCCC3)CCCC2.
What is the InChIKey of 2,3,4,5,6,7,8,10-octahydro-1H-acridin-9-one?
The InChIKey is NTUMKASHRHPKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H2,(H,14,15).
What are the key properties of 2,3,4,5,6,7,8,10-octahydro-1H-acridin-9-one?
2,3,4,5,6,7,8,10-octahydro-1H-acridin-9-one has a molecular weight of 203.28 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8,10-octahydro-1H-acridin-9-one is sourced from PubChem (CID 58869997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).