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

C13H12BrNO — CID 655308

IUPAC7-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3ccc(Br)cc13)CCCC2
InChIInChI=1S/C13H12BrNO/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h5-7H,1-4H2,(H,15,16)
InChIKeyCYNGWEJDWSSTDH-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.17
Rot. Bonds

About 7-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one

7-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 655308) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 7-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name7-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID655308
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name7-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3ccc(Br)cc13)CCCC2
InChIInChI=1S/C13H12BrNO/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h5-7H,1-4H2,(H,15,16)
InChIKeyCYNGWEJDWSSTDH-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 7-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 7-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 655308) is 7-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 7-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 7-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one is O=c1c2c([nH]c3ccc(Br)cc13)CCCC2.
What is the InChIKey of 7-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is CYNGWEJDWSSTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h5-7H,1-4H2,(H,15,16).
What are the key properties of 7-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one?
7-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 7-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 655308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).