6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one

C15H15BrN2O2 — CID 84610246

IUPAC6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(Cc2ccco2)c2cc(N)c(Br)cc21
InChIInChI=1S/C15H15BrN2O2/c1-15(2)10-6-11(16)12(17)7-13(10)18(14(15)19)8-9-4-3-5-20-9/h3-7H,8,17H2,1-2H3
InChIKeyUTJLTYOCYKNCBQ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.45
Rot. Bonds2

About 6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one

6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one (PubChem CID 84610246) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one
PubChem CID84610246
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(Cc2ccco2)c2cc(N)c(Br)cc21
InChIInChI=1S/C15H15BrN2O2/c1-15(2)10-6-11(16)12(17)7-13(10)18(14(15)19)8-9-4-3-5-20-9/h3-7H,8,17H2,1-2H3
InChIKeyUTJLTYOCYKNCBQ-UHFFFAOYSA-N
XLogP3.45
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-amino-4-bromophenyl)methyl]-3,3-dimethylindol-2-one
CID 115557406
5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride
CID 70421420
5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one
CID 59300833
1,8-dibromo-17-(furan-2-ylmethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 5122182
1-benzyl-1'-(furan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375659
1'-(furan-2-ylmethyl)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375643
(3R)-1-(cyclopropylmethyl)-1'-(furan-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 97415648
(3aR,4S,7R,7aR)-2-(furan-2-ylmethyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 27451087
(1S,2S,6R,7S)-4-(furan-2-ylmethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 20575713
(1S,2R,3R,7R,8R,9R,10S,14S)-5,12-bis(furan-2-ylmethyl)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
CID 98054016
2-(furan-2-ylmethyl)-4,5,6,7-tetraiodoisoindole-1,3-dione
CID 13211644
5,6-diamino-1,3,3-trimethylindol-2-one
CID 23092656

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one?
The IUPAC name of 6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one (CID 84610246) is 6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one.
What is the SMILES notation for 6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one?
The canonical SMILES for 6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one is CC1(C)C(=O)N(Cc2ccco2)c2cc(N)c(Br)cc21.
What is the InChIKey of 6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one?
The InChIKey is UTJLTYOCYKNCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-15(2)10-6-11(16)12(17)7-13(10)18(14(15)19)8-9-4-3-5-20-9/h3-7H,8,17H2,1-2H3.
What are the key properties of 6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one?
6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one has a molecular weight of 335.20 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-1-(furan-2-ylmethyl)-3,3-dimethylindol-2-one is sourced from PubChem (CID 84610246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).