3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile

C8H7N3 — CID 89386882

IUPAC3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile
SMILESN#CC1=CC2C=NC=CC2N1
InChIInChI=1S/C8H7N3/c9-4-7-3-6-5-10-2-1-8(6)11-7/h1-3,5-6,8,11H
InChIKeyXEWPORJNVMBHDL-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.58
Rot. Bonds

About 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile

3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile (PubChem CID 89386882) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile
PubChem CID89386882
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile
SMILESN#CC1=CC2C=NC=CC2N1
InChIInChI=1S/C8H7N3/c9-4-7-3-6-5-10-2-1-8(6)11-7/h1-3,5-6,8,11H
InChIKeyXEWPORJNVMBHDL-UHFFFAOYSA-N
XLogP0.58
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile 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 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile?
The IUPAC name of 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile (CID 89386882) is 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile.
What is the SMILES notation for 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile?
The canonical SMILES for 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile is N#CC1=CC2C=NC=CC2N1.
What is the InChIKey of 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile?
The InChIKey is XEWPORJNVMBHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c9-4-7-3-6-5-10-2-1-8(6)11-7/h1-3,5-6,8,11H.
What are the key properties of 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile?
3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile has a molecular weight of 145.16 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile is sourced from PubChem (CID 89386882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).