5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one

C11H11BrN2O — CID 118186252

IUPAC5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESNc1cc(Br)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C11H11BrN2O/c12-8-5-6(13)4-7-9(8)14-10(15)11(7)2-1-3-11/h4-5H,1-3,13H2,(H,14,15)
InChIKeyAGAWVSWYZUEEQX-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.41
Rot. Bonds

About 5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one

5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one (PubChem CID 118186252) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one
PubChem CID118186252
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESNc1cc(Br)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C11H11BrN2O/c12-8-5-6(13)4-7-9(8)14-10(15)11(7)2-1-3-11/h4-5H,1-3,13H2,(H,14,15)
InChIKeyAGAWVSWYZUEEQX-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one?
The IUPAC name of 5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one (CID 118186252) is 5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one?
The canonical SMILES for 5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one is Nc1cc(Br)c2c(c1)C1(CCC1)C(=O)N2.
What is the InChIKey of 5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one?
The InChIKey is AGAWVSWYZUEEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-8-5-6(13)4-7-9(8)14-10(15)11(7)2-1-3-11/h4-5H,1-3,13H2,(H,14,15).
What are the key properties of 5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one?
5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one has a molecular weight of 267.13 g/mol, XLogP of 2.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 118186252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).