methyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate

C15H16BrNO3 — CID 156538049

IUPACmethyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate
SMILESCOC(=O)c1cc2c(cc1Br)N(C)C(=O)C21CCCC1
InChIInChI=1S/C15H16BrNO3/c1-17-12-8-11(16)9(13(18)20-2)7-10(12)15(14(17)19)5-3-4-6-15/h7-8H,3-6H2,1-2H3
InChIKeyZUSDQXBBXYGJIJ-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.02
Rot. Bonds1

About methyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate

methyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate (PubChem CID 156538049) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is methyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate.

Molecular Properties

Compound Namemethyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate
PubChem CID156538049
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Namemethyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate
SMILESCOC(=O)c1cc2c(cc1Br)N(C)C(=O)C21CCCC1
InChIInChI=1S/C15H16BrNO3/c1-17-12-8-11(16)9(13(18)20-2)7-10(12)15(14(17)19)5-3-4-6-15/h7-8H,3-6H2,1-2H3
InChIKeyZUSDQXBBXYGJIJ-UHFFFAOYSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-bromo-1,3,3-trimethyl-2-oxoindole-6-carboxylate
CID 156537382
methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate
CID 156548154
6-O-ethyl 3-O-methyl 5-bromo-1,3-dimethyl-2-oxoindole-3,6-dicarboxylate
CID 169194497
methyl 6-bromo-1-methyl-3-(1-methylcyclopropyl)-2-oxobenzimidazole-5-carboxylate
CID 169194958
methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate
CID 125427256
methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 131608298
methyl 5-bromo-4-methoxy-2-pyrrolidin-1-ylbenzoate
CID 168513275
methyl 6-(1-ethoxyethenyl)-1,3,3-trimethyl-2-oxoindole-5-carboxylate
CID 167311104
8'-chloro-1',5'-dimethylspiro[cyclopentane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one
CID 169194663
methyl 2-bromo-4-formyl-5-hydroxybenzoate
CID 90036125
methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929209
6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one
CID 162705629

Frequently Asked Questions

What is the IUPAC name of methyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate?
The IUPAC name of methyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate (CID 156538049) is methyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate.
What is the SMILES notation for methyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate?
The canonical SMILES for methyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate is COC(=O)c1cc2c(cc1Br)N(C)C(=O)C21CCCC1.
What is the InChIKey of methyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate?
The InChIKey is ZUSDQXBBXYGJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-17-12-8-11(16)9(13(18)20-2)7-10(12)15(14(17)19)5-3-4-6-15/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate?
methyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate has a molecular weight of 338.20 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6'-bromo-1'-methyl-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxylate is sourced from PubChem (CID 156538049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).