(3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione

C11H14N2O2 — CID 15249926

IUPAC(3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione
SMILESC[C@@]12CC(=O)N[C@@H]1NC1=C2C(=O)CCC1
InChIInChI=1S/C11H14N2O2/c1-11-5-8(15)13-10(11)12-6-3-2-4-7(14)9(6)11/h10,12H,2-5H2,1H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyLGKLCEAVRMWTJG-QWRGUYRKSA-N
MW206.24 g/mol
LogP0.45
Rot. Bonds

About (3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione

(3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione (PubChem CID 15249926) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione.

Molecular Properties

Compound Name(3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione
PubChem CID15249926
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione
SMILESC[C@@]12CC(=O)N[C@@H]1NC1=C2C(=O)CCC1
InChIInChI=1S/C11H14N2O2/c1-11-5-8(15)13-10(11)12-6-3-2-4-7(14)9(6)11/h10,12H,2-5H2,1H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyLGKLCEAVRMWTJG-QWRGUYRKSA-N
XLogP0.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione?
The IUPAC name of (3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione (CID 15249926) is (3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione.
What is the SMILES notation for (3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione?
The canonical SMILES for (3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione is C[C@@]12CC(=O)N[C@@H]1NC1=C2C(=O)CCC1.
What is the InChIKey of (3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione?
The InChIKey is LGKLCEAVRMWTJG-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11-5-8(15)13-10(11)12-6-3-2-4-7(14)9(6)11/h10,12H,2-5H2,1H3,(H,13,15)/t10-,11-/m0/s1.
What are the key properties of (3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione?
(3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione has a molecular weight of 206.24 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bS)-8b-methyl-3,3a,4,5,6,7-hexahydro-1H-pyrrolo[2,3-b]indole-2,8-dione is sourced from PubChem (CID 15249926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).