(3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one

C11H11BrN2O — CID 134938462

IUPAC(3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one
SMILESCN1C(=O)C[C@H]2c3cc(Br)ccc3N[C@H]21
InChIInChI=1S/C11H11BrN2O/c1-14-10(15)5-8-7-4-6(12)2-3-9(7)13-11(8)14/h2-4,8,11,13H,5H2,1H3/t8-,11-/m0/s1
InChIKeyDIQYUYFEGWGOOF-KWQFWETISA-N
MW267.13 g/mol
LogP2.15
Rot. Bonds

About (3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one

(3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one (PubChem CID 134938462) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is (3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one.

Molecular Properties

Compound Name(3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one
PubChem CID134938462
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name(3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one
SMILESCN1C(=O)C[C@H]2c3cc(Br)ccc3N[C@H]21
InChIInChI=1S/C11H11BrN2O/c1-14-10(15)5-8-7-4-6(12)2-3-9(7)13-11(8)14/h2-4,8,11,13H,5H2,1H3/t8-,11-/m0/s1
InChIKeyDIQYUYFEGWGOOF-KWQFWETISA-N
XLogP2.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one?
The IUPAC name of (3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one (CID 134938462) is (3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one.
What is the SMILES notation for (3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one?
The canonical SMILES for (3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one is CN1C(=O)C[C@H]2c3cc(Br)ccc3N[C@H]21.
What is the InChIKey of (3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one?
The InChIKey is DIQYUYFEGWGOOF-KWQFWETISA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-14-10(15)5-8-7-4-6(12)2-3-9(7)13-11(8)14/h2-4,8,11,13H,5H2,1H3/t8-,11-/m0/s1.
What are the key properties of (3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one?
(3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one has a molecular weight of 267.13 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bS)-7-bromo-3-methyl-1,3a,4,8b-tetrahydropyrrolo[2,3-b]indol-2-one is sourced from PubChem (CID 134938462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).