2-methylpyrrolo[2,3-b]indole

C11H8N2 — CID 67634624

IUPAC2-methylpyrrolo[2,3-b]indole
SMILESCC1=CC2=c3ccccc3=NC2=N1
InChIInChI=1S/C11H8N2/c1-7-6-9-8-4-2-3-5-10(8)13-11(9)12-7/h2-6H,1H3
InChIKeyPLENICFFLXXMCJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.79
Rot. Bonds

About 2-methylpyrrolo[2,3-b]indole

2-methylpyrrolo[2,3-b]indole (PubChem CID 67634624) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methylpyrrolo[2,3-b]indole.

Molecular Properties

Compound Name2-methylpyrrolo[2,3-b]indole
PubChem CID67634624
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name2-methylpyrrolo[2,3-b]indole
SMILESCC1=CC2=c3ccccc3=NC2=N1
InChIInChI=1S/C11H8N2/c1-7-6-9-8-4-2-3-5-10(8)13-11(9)12-7/h2-6H,1H3
InChIKeyPLENICFFLXXMCJ-UHFFFAOYSA-N
XLogP0.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrolo[2,3-b]indole?
The IUPAC name of 2-methylpyrrolo[2,3-b]indole (CID 67634624) is 2-methylpyrrolo[2,3-b]indole.
What is the SMILES notation for 2-methylpyrrolo[2,3-b]indole?
The canonical SMILES for 2-methylpyrrolo[2,3-b]indole is CC1=CC2=c3ccccc3=NC2=N1.
What is the InChIKey of 2-methylpyrrolo[2,3-b]indole?
The InChIKey is PLENICFFLXXMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-7-6-9-8-4-2-3-5-10(8)13-11(9)12-7/h2-6H,1H3.
What are the key properties of 2-methylpyrrolo[2,3-b]indole?
2-methylpyrrolo[2,3-b]indole has a molecular weight of 168.20 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolo[2,3-b]indole is sourced from PubChem (CID 67634624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).