(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole

C11H14N2 — CID 141076410

IUPAC(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole
SMILESC[C@@]12CCNC1Nc1ccccc12
InChIInChI=1S/C11H14N2/c1-11-6-7-12-10(11)13-9-5-3-2-4-8(9)11/h2-5,10,12-13H,6-7H2,1H3/t10?,11-/m0/s1
InChIKeyQREOKCMNEWNKLU-DTIOYNMSSA-N
MW174.25 g/mol
LogP1.69
Rot. Bonds

About (8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole

(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole (PubChem CID 141076410) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole
PubChem CID141076410
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole
SMILESC[C@@]12CCNC1Nc1ccccc12
InChIInChI=1S/C11H14N2/c1-11-6-7-12-10(11)13-9-5-3-2-4-8(9)11/h2-5,10,12-13H,6-7H2,1H3/t10?,11-/m0/s1
InChIKeyQREOKCMNEWNKLU-DTIOYNMSSA-N
XLogP1.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of (8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole (CID 141076410) is (8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for (8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for (8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole is C[C@@]12CCNC1Nc1ccccc12.
What is the InChIKey of (8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is QREOKCMNEWNKLU-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H14N2/c1-11-6-7-12-10(11)13-9-5-3-2-4-8(9)11/h2-5,10,12-13H,6-7H2,1H3/t10?,11-/m0/s1.
What are the key properties of (8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole?
(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 174.25 g/mol, XLogP of 1.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 141076410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).