5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one

C13H12BrNO — CID 61382730

IUPAC5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3c(Br)cccc13)CCCC2
InChIInChI=1S/C13H12BrNO/c14-10-6-3-5-9-12(10)15-11-7-2-1-4-8(11)13(9)16/h3,5-6H,1-2,4,7H2,(H,15,16)
InChIKeyDMAWDQGRNGNWLM-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.17
Rot. Bonds

About 5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one

5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 61382730) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID61382730
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3c(Br)cccc13)CCCC2
InChIInChI=1S/C13H12BrNO/c14-10-6-3-5-9-12(10)15-11-7-2-1-4-8(11)13(9)16/h3,5-6H,1-2,4,7H2,(H,15,16)
InChIKeyDMAWDQGRNGNWLM-UHFFFAOYSA-N
XLogP3.17
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 61382730) is 5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one is O=c1c2c([nH]c3c(Br)cccc13)CCCC2.
What is the InChIKey of 5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is DMAWDQGRNGNWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c14-10-6-3-5-9-12(10)15-11-7-2-1-4-8(11)13(9)16/h3,5-6H,1-2,4,7H2,(H,15,16).
What are the key properties of 5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one?
5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 278.15 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 61382730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).