5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

C11H16N2 — CID 118489357

IUPAC5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=NC2C=C(C(C)C)NC2C=C1
InChIInChI=1S/C11H16N2/c1-7(2)10-6-11-9(13-10)5-4-8(3)12-11/h4-7,9,11,13H,1-3H3
InChIKeyJLCAEEQCAVXRLC-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.90
Rot. Bonds1

About 5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 118489357) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID118489357
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=NC2C=C(C(C)C)NC2C=C1
InChIInChI=1S/C11H16N2/c1-7(2)10-6-11-9(13-10)5-4-8(3)12-11/h4-7,9,11,13H,1-3H3
InChIKeyJLCAEEQCAVXRLC-UHFFFAOYSA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-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 5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 118489357) is 5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is CC1=NC2C=C(C(C)C)NC2C=C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is JLCAEEQCAVXRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-7(2)10-6-11-9(13-10)5-4-8(3)12-11/h4-7,9,11,13H,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 176.26 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118489357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).