5-(3-bromopropoxy)indol-2-one

C11H10BrNO2 — CID 141205026

IUPAC5-(3-bromopropoxy)indol-2-one
SMILESO=C1C=c2cc(OCCCBr)ccc2=N1
InChIInChI=1S/C11H10BrNO2/c12-4-1-5-15-9-2-3-10-8(6-9)7-11(14)13-10/h2-3,6-7H,1,4-5H2
InChIKeyPIJOHBBSLJCCFZ-UHFFFAOYSA-N
MW268.11 g/mol
LogP0.79
Rot. Bonds4

About 5-(3-bromopropoxy)indol-2-one

5-(3-bromopropoxy)indol-2-one (PubChem CID 141205026) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 5-(3-bromopropoxy)indol-2-one.

Molecular Properties

Compound Name5-(3-bromopropoxy)indol-2-one
PubChem CID141205026
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name5-(3-bromopropoxy)indol-2-one
SMILESO=C1C=c2cc(OCCCBr)ccc2=N1
InChIInChI=1S/C11H10BrNO2/c12-4-1-5-15-9-2-3-10-8(6-9)7-11(14)13-10/h2-3,6-7H,1,4-5H2
InChIKeyPIJOHBBSLJCCFZ-UHFFFAOYSA-N
XLogP0.79
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromopropoxy)indol-2-one?
The IUPAC name of 5-(3-bromopropoxy)indol-2-one (CID 141205026) is 5-(3-bromopropoxy)indol-2-one.
What is the SMILES notation for 5-(3-bromopropoxy)indol-2-one?
The canonical SMILES for 5-(3-bromopropoxy)indol-2-one is O=C1C=c2cc(OCCCBr)ccc2=N1.
What is the InChIKey of 5-(3-bromopropoxy)indol-2-one?
The InChIKey is PIJOHBBSLJCCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c12-4-1-5-15-9-2-3-10-8(6-9)7-11(14)13-10/h2-3,6-7H,1,4-5H2.
What are the key properties of 5-(3-bromopropoxy)indol-2-one?
5-(3-bromopropoxy)indol-2-one has a molecular weight of 268.11 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromopropoxy)indol-2-one is sourced from PubChem (CID 141205026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).