1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione

C15H12BrNO2 — CID 69108464

IUPAC1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2Br)C2CC=CC=C12
InChIInChI=1S/C15H12BrNO2/c16-12-7-3-1-5-10(12)9-17-13-8-4-2-6-11(13)14(18)15(17)19/h1-7,13H,8-9H2
InChIKeyCGSYKGODKVLWCE-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.62
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione

1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione (PubChem CID 69108464) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione
PubChem CID69108464
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2Br)C2CC=CC=C12
InChIInChI=1S/C15H12BrNO2/c16-12-7-3-1-5-10(12)9-17-13-8-4-2-6-11(13)14(18)15(17)19/h1-7,13H,8-9H2
InChIKeyCGSYKGODKVLWCE-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione?
The IUPAC name of 1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione (CID 69108464) is 1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione is O=C1C(=O)N(Cc2ccccc2Br)C2CC=CC=C12.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione?
The InChIKey is CGSYKGODKVLWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-12-7-3-1-5-10(12)9-17-13-8-4-2-6-11(13)14(18)15(17)19/h1-7,13H,8-9H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione?
1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione has a molecular weight of 318.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-7,7a-dihydroindole-2,3-dione is sourced from PubChem (CID 69108464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).