1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine

C9H16N2 — CID 123317614

IUPAC1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine
SMILESCN1CCCC2=C1N(C)CC2
InChIInChI=1S/C9H16N2/c1-10-6-3-4-8-5-7-11(2)9(8)10/h3-7H2,1-2H3
InChIKeyGQIUSMVXXQCLGL-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.26
Rot. Bonds

About 1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine

1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine (PubChem CID 123317614) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine
PubChem CID123317614
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine
SMILESCN1CCCC2=C1N(C)CC2
InChIInChI=1S/C9H16N2/c1-10-6-3-4-8-5-7-11(2)9(8)10/h3-7H2,1-2H3
InChIKeyGQIUSMVXXQCLGL-UHFFFAOYSA-N
XLogP1.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine (CID 123317614) is 1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine is CN1CCCC2=C1N(C)CC2.
What is the InChIKey of 1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine?
The InChIKey is GQIUSMVXXQCLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-10-6-3-4-8-5-7-11(2)9(8)10/h3-7H2,1-2H3.
What are the key properties of 1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine?
1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine has a molecular weight of 152.24 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 123317614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).