4-(bromomethyl)-1,3-dihydroindol-2-one

C9H8BrNO — CID 90008900

IUPAC4-(bromomethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(CBr)cccc2N1
InChIInChI=1S/C9H8BrNO/c10-5-6-2-1-3-8-7(6)4-9(12)11-8/h1-3H,4-5H2,(H,11,12)
InChIKeyGZSCSZMHKSIWCZ-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.08
Rot. Bonds1

About 4-(bromomethyl)-1,3-dihydroindol-2-one

4-(bromomethyl)-1,3-dihydroindol-2-one (PubChem CID 90008900) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 4-(bromomethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1,3-dihydroindol-2-one
PubChem CID90008900
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name4-(bromomethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(CBr)cccc2N1
InChIInChI=1S/C9H8BrNO/c10-5-6-2-1-3-8-7(6)4-9(12)11-8/h1-3H,4-5H2,(H,11,12)
InChIKeyGZSCSZMHKSIWCZ-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 4-(bromomethyl)-1,3-dihydroindol-2-one (CID 90008900) is 4-(bromomethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-(bromomethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-(bromomethyl)-1,3-dihydroindol-2-one is O=C1Cc2c(CBr)cccc2N1.
What is the InChIKey of 4-(bromomethyl)-1,3-dihydroindol-2-one?
The InChIKey is GZSCSZMHKSIWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-5-6-2-1-3-8-7(6)4-9(12)11-8/h1-3H,4-5H2,(H,11,12).
What are the key properties of 4-(bromomethyl)-1,3-dihydroindol-2-one?
4-(bromomethyl)-1,3-dihydroindol-2-one has a molecular weight of 226.07 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 90008900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).