6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one

C15H18BrNO2 — CID 129284407

IUPAC6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one
SMILESCC1(C)Cc2cc(N3CCOCC3)c(Br)cc2C1=O
InChIInChI=1S/C15H18BrNO2/c1-15(2)9-10-7-13(17-3-5-19-6-4-17)12(16)8-11(10)14(15)18/h7-8H,3-6,9H2,1-2H3
InChIKeyLCTRNJNDVQUGFW-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.05
Rot. Bonds1

About 6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one

6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one (PubChem CID 129284407) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one.

Molecular Properties

Compound Name6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one
PubChem CID129284407
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one
SMILESCC1(C)Cc2cc(N3CCOCC3)c(Br)cc2C1=O
InChIInChI=1S/C15H18BrNO2/c1-15(2)9-10-7-13(17-3-5-19-6-4-17)12(16)8-11(10)14(15)18/h7-8H,3-6,9H2,1-2H3
InChIKeyLCTRNJNDVQUGFW-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2,2-dimethyl-6-morpholin-4-yl-1-oxo-3H-inden-5-yl)-2-pyrimidin-2-ylprop-2-enamide
CID 159507699
4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine
CID 167231314
1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine
CID 117496105
5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one
CID 79345041
2-bromo-7-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)cyclohepta-2,4,6-trien-1-one
CID 15763135
1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one
CID 117480032
1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine
CID 62908814
(5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid
CID 139510840
4-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)morpholine
CID 3689556
N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 17220722
methyl 1-(3-bromo-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50878841
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one?
The IUPAC name of 6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one (CID 129284407) is 6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one.
What is the SMILES notation for 6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one?
The canonical SMILES for 6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one is CC1(C)Cc2cc(N3CCOCC3)c(Br)cc2C1=O.
What is the InChIKey of 6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one?
The InChIKey is LCTRNJNDVQUGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-15(2)9-10-7-13(17-3-5-19-6-4-17)12(16)8-11(10)14(15)18/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one?
6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one has a molecular weight of 324.22 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2-dimethyl-5-morpholin-4-yl-3H-inden-1-one is sourced from PubChem (CID 129284407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).