(3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one

C10H9BrN2O — CID 131062690

IUPAC(3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one
SMILESC=C[C@@]1(N)C(=O)Nc2c(Br)cccc21
InChIInChI=1S/C10H9BrN2O/c1-2-10(12)6-4-3-5-7(11)8(6)13-9(10)14/h2-5H,1,12H2,(H,13,14)/t10-/m0/s1
InChIKeyUNYSILPADBOLHO-JTQLQIEISA-N
MW253.10 g/mol
LogP1.74
Rot. Bonds1

About (3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one

(3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one (PubChem CID 131062690) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is (3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one
PubChem CID131062690
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name(3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one
SMILESC=C[C@@]1(N)C(=O)Nc2c(Br)cccc21
InChIInChI=1S/C10H9BrN2O/c1-2-10(12)6-4-3-5-7(11)8(6)13-9(10)14/h2-5H,1,12H2,(H,13,14)/t10-/m0/s1
InChIKeyUNYSILPADBOLHO-JTQLQIEISA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.74
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 (3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one?
The IUPAC name of (3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one (CID 131062690) is (3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one.
What is the SMILES notation for (3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one?
The canonical SMILES for (3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one is C=C[C@@]1(N)C(=O)Nc2c(Br)cccc21.
What is the InChIKey of (3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one?
The InChIKey is UNYSILPADBOLHO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-2-10(12)6-4-3-5-7(11)8(6)13-9(10)14/h2-5H,1,12H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one?
(3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one has a molecular weight of 253.10 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-7-bromo-3-ethenyl-1H-indol-2-one is sourced from PubChem (CID 131062690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).