(3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

C13H18N2O — CID 102178164

IUPAC(3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCO[C@]12CCN(C)[C@H]1N(C)c1ccccc12
InChIInChI=1S/C13H18N2O/c1-14-9-8-13(16-3)10-6-4-5-7-11(10)15(2)12(13)14/h4-7,12H,8-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyAFLLJVZHYVUNNX-STQMWFEESA-N
MW218.30 g/mol
LogP1.64
Rot. Bonds1

About (3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

(3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (PubChem CID 102178164) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name(3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
PubChem CID102178164
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCO[C@]12CCN(C)[C@H]1N(C)c1ccccc12
InChIInChI=1S/C13H18N2O/c1-14-9-8-13(16-3)10-6-4-5-7-11(10)15(2)12(13)14/h4-7,12H,8-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyAFLLJVZHYVUNNX-STQMWFEESA-N
XLogP1.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of (3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (CID 102178164) is (3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for (3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for (3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is CO[C@]12CCN(C)[C@H]1N(C)c1ccccc12.
What is the InChIKey of (3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is AFLLJVZHYVUNNX-STQMWFEESA-N. The full InChI is InChI=1S/C13H18N2O/c1-14-9-8-13(16-3)10-6-4-5-7-11(10)15(2)12(13)14/h4-7,12H,8-9H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
(3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 218.30 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 102178164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).