7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione

C13H12BrNO3 — CID 132918327

IUPAC7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione
SMILESCN1C(=O)C2(CCC(=O)OC2)c2cccc(Br)c21
InChIInChI=1S/C13H12BrNO3/c1-15-11-8(3-2-4-9(11)14)13(12(15)17)6-5-10(16)18-7-13/h2-4H,5-7H2,1H3
InChIKeyRQSGNOXZCVPUSB-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.00
Rot. Bonds

About 7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione

7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione (PubChem CID 132918327) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione.

Molecular Properties

Compound Name7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione
PubChem CID132918327
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione
SMILESCN1C(=O)C2(CCC(=O)OC2)c2cccc(Br)c21
InChIInChI=1S/C13H12BrNO3/c1-15-11-8(3-2-4-9(11)14)13(12(15)17)6-5-10(16)18-7-13/h2-4H,5-7H2,1H3
InChIKeyRQSGNOXZCVPUSB-UHFFFAOYSA-N
XLogP2.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1',7'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one
CID 102104060
3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione
CID 175638948
(3S)-3-(2-bromophenyl)-3-[(3S)-3-(2-bromophenyl)-1-methyl-2-oxopyrrolidin-3-yl]-1-methylpyrrolidin-2-one
CID 162415743
(2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide
CID 139093343
5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115096887
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one
CID 102292524
1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione
CID 132918334
CID 164582213
CID 164582213
8-bromo-3,3,4,4-tetramethyl-2H-naphthalen-1-one
CID 168848283
(3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione
CID 102110136
7-bromo-1,3,3-tris(methylamino)indol-2-one
CID 174545408

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione?
The IUPAC name of 7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione (CID 132918327) is 7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione.
What is the SMILES notation for 7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione?
The canonical SMILES for 7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione is CN1C(=O)C2(CCC(=O)OC2)c2cccc(Br)c21.
What is the InChIKey of 7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione?
The InChIKey is RQSGNOXZCVPUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-15-11-8(3-2-4-9(11)14)13(12(15)17)6-5-10(16)18-7-13/h2-4H,5-7H2,1H3.
What are the key properties of 7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione?
7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione has a molecular weight of 310.15 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methylspiro[indole-3,5'-oxane]-2,2'-dione is sourced from PubChem (CID 132918327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).