4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile

C8H9N3 — CID 131498324

IUPAC4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2c1CCNC2
InChIInChI=1S/C8H9N3/c9-3-6-4-11-8-5-10-2-1-7(6)8/h4,10-11H,1-2,5H2
InChIKeyLOSIKAGLVQZPAQ-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.53
Rot. Bonds

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

4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile (PubChem CID 131498324) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile
PubChem CID131498324
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2c1CCNC2
InChIInChI=1S/C8H9N3/c9-3-6-4-11-8-5-10-2-1-7(6)8/h4,10-11H,1-2,5H2
InChIKeyLOSIKAGLVQZPAQ-UHFFFAOYSA-N
XLogP0.53
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile (CID 131498324) is 4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile is N#Cc1c[nH]c2c1CCNC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?
The InChIKey is LOSIKAGLVQZPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-3-6-4-11-8-5-10-2-1-7(6)8/h4,10-11H,1-2,5H2.
What are the key properties of 4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?
4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile has a molecular weight of 147.18 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 131498324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).