3-(3-bromophenyl)imino-1-methylindol-2-one

C15H11BrN2O — CID 2435942

IUPAC3-(3-bromophenyl)imino-1-methylindol-2-one
SMILESCN1C(=O)/C(=N\c2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C15H11BrN2O/c1-18-13-8-3-2-7-12(13)14(15(18)19)17-11-6-4-5-10(16)9-11/h2-9H,1H3/b17-14-
InChIKeyHTUQDPIAMWTEDB-VKAVYKQESA-N
MW315.17 g/mol
LogP3.55
Rot. Bonds1

About 3-(3-bromophenyl)imino-1-methylindol-2-one

3-(3-bromophenyl)imino-1-methylindol-2-one (PubChem CID 2435942) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-(3-bromophenyl)imino-1-methylindol-2-one.

Molecular Properties

Compound Name3-(3-bromophenyl)imino-1-methylindol-2-one
PubChem CID2435942
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-(3-bromophenyl)imino-1-methylindol-2-one
SMILESCN1C(=O)/C(=N\c2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C15H11BrN2O/c1-18-13-8-3-2-7-12(13)14(15(18)19)17-11-6-4-5-10(16)9-11/h2-9H,1H3/b17-14-
InChIKeyHTUQDPIAMWTEDB-VKAVYKQESA-N
XLogP3.55
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)imino-1-methylindol-2-one?
The IUPAC name of 3-(3-bromophenyl)imino-1-methylindol-2-one (CID 2435942) is 3-(3-bromophenyl)imino-1-methylindol-2-one.
What is the SMILES notation for 3-(3-bromophenyl)imino-1-methylindol-2-one?
The canonical SMILES for 3-(3-bromophenyl)imino-1-methylindol-2-one is CN1C(=O)/C(=N\c2cccc(Br)c2)c2ccccc21.
What is the InChIKey of 3-(3-bromophenyl)imino-1-methylindol-2-one?
The InChIKey is HTUQDPIAMWTEDB-VKAVYKQESA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-18-13-8-3-2-7-12(13)14(15(18)19)17-11-6-4-5-10(16)9-11/h2-9H,1H3/b17-14-.
What are the key properties of 3-(3-bromophenyl)imino-1-methylindol-2-one?
3-(3-bromophenyl)imino-1-methylindol-2-one has a molecular weight of 315.17 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)imino-1-methylindol-2-one is sourced from PubChem (CID 2435942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).