5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one

C11H11BrN2O — CID 43189550

IUPAC5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one
SMILESC=CCNC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C11H11BrN2O/c1-2-5-13-10-8-6-7(12)3-4-9(8)14-11(10)15/h2-4,6,10,13H,1,5H2,(H,14,15)
InChIKeyJUQYMJZEAKWKCN-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.22
Rot. Bonds3

About 5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one

5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one (PubChem CID 43189550) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one
PubChem CID43189550
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one
SMILESC=CCNC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C11H11BrN2O/c1-2-5-13-10-8-6-7(12)3-4-9(8)14-11(10)15/h2-4,6,10,13H,1,5H2,(H,14,15)
InChIKeyJUQYMJZEAKWKCN-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one (CID 43189550) is 5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one is C=CCNC1C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one?
The InChIKey is JUQYMJZEAKWKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-2-5-13-10-8-6-7(12)3-4-9(8)14-11(10)15/h2-4,6,10,13H,1,5H2,(H,14,15).
What are the key properties of 5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one?
5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one has a molecular weight of 267.13 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43189550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).