7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione

C14H15BrN2O3 — CID 79171085

IUPAC7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
SMILESCN1CCOC(CN2C(=O)C(=O)c3cccc(Br)c32)C1
InChIInChI=1S/C14H15BrN2O3/c1-16-5-6-20-9(7-16)8-17-12-10(13(18)14(17)19)3-2-4-11(12)15/h2-4,9H,5-8H2,1H3
InChIKeyDJCZBRZOJOKMHH-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.31
Rot. Bonds2

About 7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione

7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione (PubChem CID 79171085) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
PubChem CID79171085
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
SMILESCN1CCOC(CN2C(=O)C(=O)c3cccc(Br)c32)C1
InChIInChI=1S/C14H15BrN2O3/c1-16-5-6-20-9(7-16)8-17-12-10(13(18)14(17)19)3-2-4-11(12)15/h2-4,9H,5-8H2,1H3
InChIKeyDJCZBRZOJOKMHH-UHFFFAOYSA-N
XLogP1.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79174305
5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175166
7-bromo-1-(cyclopropylmethyl)indole-2,3-dione
CID 61356437
5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79172063
4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175249
7-bromo-1-(2-hydroxyethyl)indole-2,3-dione
CID 61357109
4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175165
7-bromo-1-pentylindole-2,3-dione
CID 61356330
7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione
CID 61387766
7-bromo-1-(2-methoxyethyl)indole-2,3-dione
CID 60726633
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 79071422
7-bromo-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione
CID 79569313

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione (CID 79171085) is 7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione is CN1CCOC(CN2C(=O)C(=O)c3cccc(Br)c32)C1.
What is the InChIKey of 7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The InChIKey is DJCZBRZOJOKMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-16-5-6-20-9(7-16)8-17-12-10(13(18)14(17)19)3-2-4-11(12)15/h2-4,9H,5-8H2,1H3.
What are the key properties of 7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione has a molecular weight of 339.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 79171085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).