2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone

C14H15BrN2O2 — CID 58710329

IUPAC2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone
SMILES[3H]c1c(Br)n(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C14H15BrN2O2/c15-13-9-11-3-1-2-4-12(11)17(13)10-14(18)16-5-7-19-8-6-16/h1-4,9H,5-8,10H2/i9T
InChIKeyBLDLTVQDOGPDMK-FIRFLZKJSA-N
MW325.20 g/mol
LogP2.26
Rot. Bonds2

About 2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone

2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone (PubChem CID 58710329) has the molecular formula C14H15BrN2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone
PubChem CID58710329
Molecular FormulaC14H15BrN2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone
SMILES[3H]c1c(Br)n(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C14H15BrN2O2/c15-13-9-11-3-1-2-4-12(11)17(13)10-14(18)16-5-7-19-8-6-16/h1-4,9H,5-8,10H2/i9T
InChIKeyBLDLTVQDOGPDMK-FIRFLZKJSA-N
XLogP2.26
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000579
2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 601048
1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 16996586
1-(2-morpholin-4-yl-2-oxoethyl)quinoxalin-2-one
CID 8892399
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 17002090
1-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52660719
1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione
CID 46786299
1-morpholin-4-yl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
CID 16896712
2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 16999857
3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one
CID 42631037
1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999437

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone (CID 58710329) is 2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone is [3H]c1c(Br)n(CC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of 2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is BLDLTVQDOGPDMK-FIRFLZKJSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-13-9-11-3-1-2-4-12(11)17(13)10-14(18)16-5-7-19-8-6-16/h1-4,9H,5-8,10H2/i9T.
What are the key properties of 2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone?
2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 325.20 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-tritioindol-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 58710329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).